SCHEMBL17577280

SCHEMBL17577280

COc1cc(Cl)ccc1C#Cc1ccc(Cl)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SRC P12931 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
AMY1A P0DUB6 3/20 0.37
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AGPAT2 O15120 3/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL17577284 0.76 TRPV4 (0.41) TRPV4PTGDR2HSP90AA1HSP90AB1ALDH1A1
SCHEMBL21698617 0.76 ACLY (0.39) CYP3A4
SCHEMBL29359707 0.75 TRPV4 (0.50) TRPV4HSP90AA1HSP90AB1AMY1APOLB
SCHEMBL29958505 0.75 ALDH1A1 (0.52) TRPV4AMY1APOLBL3MBTL1ALDH1A1
SCHEMBL585492 0.75 TRPV4 (0.50) TRPV4HSP90AA1HSP90AB1AMY1APOLB
SCHEMBL929274 0.75 ALDH1A1 (0.52) TRPV4AMY1APOLBL3MBTL1ALDH1A1
SCHEMBL17577282 0.74 PTGDR2 (0.46) TRPV4PTGDR2HSP90AA1HSP90AB1L3MBTL1
SCHEMBL4392239 0.74 TRPV4 (0.50) TRPV4PTGDR2HSP90AA1HSP90AB1POLB
SCHEMBL15611480 0.74 TRPV4 (0.46) TRPV4PTGDR2HSP90AA1HSP90AB1POLB
SCHEMBL4857820 0.74 AR (0.53) ALDH1A1KDM4EUSP2CYP2D6SLC6A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9923147-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-20 US disclosed
US-9856243-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-02 US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 US disclosed
US-20160329501-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-11-10 US disclosed
EP-3006436-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2016-04-13 EP disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
US-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-10 US disclosed
US-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-10 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 (2 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-20160072072-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNE2, CCNL2, CCNT1 TRPV4 1807/4885PTGDR2 766/4885SRC 4590/4885
US-20160099423-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, MCM4 TRPV4 1327/4885PTGDR2 2261/4885SRC 4003/4885

“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.