SCHEMBL420329

SCHEMBL420329

C=C(c1ccccc1C(=C)c1ccccc1C(=Cc1ccccc1)c1ccccc1)c1ccccc1C(=Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
CYP19A1 P11511 2/20 0.48
CYP11B2 P19099 2/20 0.48
PTGS2 P35354 4/20 0.42
AKR1C1 Q04828 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
CYP2D6 P10635 1/20 0.39
AKR1C3 P42330 1/20 0.38
PRMT1 Q99873 1/20 0.38
TRPA1 O75762 1/20 0.37
ESR2 Q92731 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4612464 0.90 ESR1 (0.59) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL4612461 0.90 ESR1 (0.59) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL5945849 0.80 ESR1 (0.53) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL55433 0.79 ESR1 (0.74) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL3771825 0.78 ESR1 (0.57) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL15316731 0.78 ATM (0.56) ESR1PTGS2AKR1C1MEN1KMT2A
SCHEMBL987336 0.77 ESR1 (0.50) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL987332 0.77 ESR1 (0.50) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL8641797 0.77 MAPT (0.50) ESR1CYP19A1CYP11B2PTGS2AKR1C1
SCHEMBL7646238 0.77 MAPT (0.50) ESR1CYP19A1CYP11B2PTGS2AKR1C1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10991890-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same DUK SAN NEOLUX CO., LTD. (KR) 2021-04-27 US disclosed
US-20180315931-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME DUK SAN NEOLUX CO., LTD. (KR) 2018-11-01 US disclosed
US-10020452-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2018-07-10 US disclosed
US-9691990-B2 Compound, organic electronic element using same, and electronic device using the latter DUK SAN NEOLUX CO., LTD. (KR) 2017-06-27 US disclosed
US-9496520-B2 Organic electronic element including light efficiency improving layer, electronic device including the same, and compound for the same DUK SAN NEOLUX CO., LTD. (KR) 2016-11-15 US disclosed
US-9290513-B2 Compound containing 5-membered heterocycles, organic electronic device using same, and terminal comprising the latter DUK SAN NEOLUX CO., LTD. (KR) 2016-03-22 US disclosed
EP-2415773-B1 ORGANIC ELECTRONIC DEVICE, COMPOUNDS FOR SAME, AND TERMINAL DUK SAN NEOLUX CO LTD (KR) 2016-02-17 EP disclosed
US-9233923-B2 Organic compounds for organic electronic devices and terminals DUK SAN NEOLUX CO., LTD. (KR) 2016-01-12 US disclosed
US-9178163-B2 Compound comprising a five-membered hetero ring, an organic electrical element using same and a terminal thereof DUK SAN NEOLUX CO., LTD. (KR) 2015-11-03 US disclosed
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUK SAN NEOLUX CO., LTD. (KR) 2015-10-29 US disclosed
US-20130334518-A1 COMPOUND AND ORGANIC ELECTRICAL ELEMENT USING SAME, AND ELECTRONIC DEVICE AND HEAT-RESISTANCE MEASURING METHOD THEREWITH DUKSAN HIGH METAL CO., LTD. (KR) 2013-12-19 US disclosed
US-8507904-B2 Compound including indole derivative, organic electronic element using same, and terminal thereof DUKSAN HIGH METAL CO., LTD. (KR) 2013-08-13 US disclosed
US-20130069049-A1 COMPOUND COMPRISING A FIVE-MEMBERED HETERO RING, AN ORGANIC ELECTRICAL ELEMENT USING THE SAME AND A TERMINAL THEREOF DUKSAN HIGH METAL CO., LTD. (KR) 2013-03-21 US disclosed
US-20130001540-A1 COMPOUND INCLUDING INDOLE DERIVATIVE IN WHICH TWO TERTIARY AMINES ARE SUBSTITUTED, ORGANIC ELECTRONIC ELEMENT USING SAME, AND TERMINAL THEREOF DUKSAN HIGH METAL CO., LTD. (KR) 2013-01-03 US disclosed
US-20120305906-A1 COMPOUND INCLUDING INDOLE DERIVATIVE, ORGANIC ELECTRONIC ELEMENT USING SAME, AND TERMINAL THEREOF DUKSAN HIGH METAL CO., LTD. (KR) 2012-12-06 US disclosed
US-20120217492-A1 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME DUKSAN HIGH METAL CO., LTD. (KR) 2012-08-30 US disclosed
US-20120168734-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER DUKSAN HIGH METAL CO., LTD. (KR) 2012-07-05 US disclosed
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-04-05 US disclosed
EP-2415773-A2 ORGANIC ELECTRONIC DEVICE, COMPOUNDS FOR SAME, AND TERMINAL Duksan Hi-Metal Co., Ltd. (KR) 2012-02-08 EP disclosed
US-20120018717-A1 ORGANIC ELECTRONIC DEVICE, COMPOUNDS FOR SAME, AND TERMINAL DUKSAN HIGH METAL CO., LTD. (KR) 2012-01-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120217492-A1 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME OR10J3, OR51E2, ORC3 ESR1 7/4885CYP19A1 736/4885CYP11B2 1170/4885
US-20120168734-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER ORC3, OR10J3, SUN2 ESR1 71/4885CYP19A1 923/4885CYP11B2 1421/4885
US-20130001540-A1 COMPOUND INCLUDING INDOLE DERIVATIVE IN WHICH TWO TERTIARY AMINES ARE SUBSTITUTED, ORGANIC ELECTRONIC ELEMENT USING SAME, AND TERMINAL THEREOF INMT, IDO2, IDO1 ESR1 138/4885CYP19A1 300/4885CYP11B2 238/4885
US-20150307514-A1 COMPOUND CONTAINING 5-MEMBERED HETEROCYCLES, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL COMPRISING THE LATTER EMC2, AOC2, MCM5 ESR1 51/4885CYP19A1 278/4885CYP11B2 764/4885
US-10991890-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same NOTUM, OR10J3, PER2 ESR1 127/4885CYP19A1 993/4885CYP11B2 1199/4885
US-20120305906-A1 COMPOUND INCLUDING INDOLE DERIVATIVE, ORGANIC ELECTRONIC ELEMENT USING SAME, AND TERMINAL THEREOF INMT, IDO2, IDO1 ESR1 59/4885CYP19A1 243/4885CYP11B2 257/4885
US-10020452-B2 Compound containing a 5-membered heterocycle and organic light-emitting diode using same, and terminal for same NOTUM, OR10J3, PER2 ESR1 127/4885CYP19A1 993/4885CYP11B2 1199/4885
US-20130069049-A1 COMPOUND COMPRISING A FIVE-MEMBERED HETERO RING, AN ORGANIC ELECTRICAL ELEMENT USING THE SAME AND A TERMINAL THEREOF VDAC2, OR10J3, VDAC1 ESR1 47/4885CYP19A1 1226/4885CYP11B2 620/4885
US-20120080670-A1 COMPOUND CONTAINING A 5-MEMBERED HETEROCYCLE AND ORGANIC LIGHT-EMITTING DIODE USING SAME, AND TERMINAL FOR SAME NOTUM, OR10J3, PER2 ESR1 127/4885CYP19A1 993/4885CYP11B2 1199/4885
US-20120018717-A1 ORGANIC ELECTRONIC DEVICE, COMPOUNDS FOR SAME, AND TERMINAL OR10J3, OR51E2, ESR1 ESR1 3/4885CYP19A1 774/4885CYP11B2 1288/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.