SCHEMBL1369320

SCHEMBL1369320

[c]1cccc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
ESR1 P03372 4/20 0.48
ESR2 Q92731 4/20 0.48
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ALOX5 P09917 1/20 0.47
GSTP1 P09211 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CYP1A1 P04798 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP1A2 P05177 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL28586676 0.98 ESR1 (0.52) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL1371905 0.94 HSD17B1 (0.44) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL2448124 0.93 ESR1 (0.47) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL6533069 0.86 ESR1 (0.37) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL19467302 0.86 HSD17B1 (0.39) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL3783466 0.85 ALDH1A1 (0.45) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL20774167 0.83 ALDH1A1 (0.47) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL9957880 0.83 CYP1A1 (0.53) HSD17B1HSD17B2CYP17A1CYP19A1CYP11B1
SCHEMBL2271000 0.82 ESR1 (0.50) HSD17B1HSD17B2ESR1ESR2CYP17A1
SCHEMBL2274784 0.82 ESR1 (0.50) HSD17B1HSD17B2ESR1ESR2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE TOSOH CORPORATION (JP) 2023-10-19 US claimed
CN-116348454-A Triazine compound, material for organic electroluminescent element, electron-transporting material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2023-06-27 CN claimed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN claimed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO claimed
US-10586933-B2 Electroactive metal complexes LG CHEM, LTD. (KR) 2020-03-10 US claimed
US-20170012222-A1 ELECTROACTIVE METAL COMPLEXES LG CHEM, LTD. (KR) 2017-01-12 US claimed
WO-2015112561-A1 ELECTROACTIVE METAL COMPLEXES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-07-30 WO claimed
EP-1930329-B1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT TOSOH CORP (JP) 2012-10-24 EP claimed
CN-101248058-B 1, 3, 5-triazine derivative, method for producing the same and organic electroluminescent device comprising the same as constituent TOSOH CORP 2012-05-09 CN claimed
US-7994316-B2 1,3,5-triazine derivative, production method thereof and organic electroluminescence device comprising this as a composing component TOSOH CORPORATION (JP) 2011-08-09 US claimed
US-7560604-B2 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2009-07-14 US claimed
CN-101248058-A 1, 3, 5-triazine derivative, method for producing the same and organic electroluminescent device comprising the same as constituent TOSOH CORP (JP) 2008-08-20 CN claimed
EP-1930329-A1 1,3,5-TRIAZINE DERIVATIVE, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTROLUMINESCENT DEVICE CONTAINING SAME AS COMPONENT Tosoh Corporation (JP) 2008-06-11 EP claimed
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use NEUROSEARCH A/S (DK) 2006-08-03 US claimed
EP-1603858-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NeuroSearch A/S (DK) 2005-12-14 EP claimed
WO-2004080377-A2 KCNQ CHANNEL MODULATING COMPOUNDS AND THEIR PHARMACEUTICAL USE NEUROSEARCH A/S (DK) 2004-09-23 WO claimed
EP-0821665-B1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LAB (US) 2001-10-04 EP claimed
US-5831115-A CYCLOBUTANECARBOXAMIDES ABBOTT LABORATORIES (US) 1998-11-03 US claimed
EP-0821665-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE Abbott Laboratories (US) 1998-02-04 EP claimed
WO-1996033159-A1 CYCLOBUTANE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-10-24 WO claimed

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

For each of this compound's patents that has machine-readable text (4 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-10586933-B2 Electroactive metal complexes AFF1, AFF4, AFF2 HSD17B1 1235/4885HSD17B2 1162/4885ESR1 15/4885
US-20230337532-A1 TRIAZINE COMPOUND, MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, ELECTRON TRANSPORT MATERIAL FOR ORGANIC LIGHT EMITTING DIODE, AND ORGANIC LIGHT EMITTING DIODE ARNT, TPH1, AHR HSD17B1 842/4885HSD17B2 938/4885ESR1 423/4885
US-20060173058-A1 Kcnq channel modulating compounds and their pharmaceutical use KCNQ1, KCNQ2, KCNQ5 HSD17B1 4172/4885HSD17B2 3777/4885ESR1 3904/4885
US-20170012222-A1 ELECTROACTIVE METAL COMPLEXES AFF1, AFF4, AFF2 HSD17B1 1235/4885HSD17B2 1162/4885ESR1 15/4885

“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.