SCHEMBL17879894

SCHEMBL17879894

Cc1cc(Cl)ccc1-c1ccc(Br)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
CRHR1 P34998 4/20 0.41
NOTUM Q6P988 2/20 0.39
S100A4 P26447 2/20 0.39
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
F2R P25116 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
AHR P35869 1/20 0.34
GPR3 P46089 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL19600443 0.80 CXCR2 (0.46) S100A4CA1CA2ALDH1A1CYP3A4
SCHEMBL16282222 0.79 S100A4 (0.39) S100A4CA1CA2AHRGPR3
SCHEMBL16282203 0.78 CRHR1 (0.44) CRHR1ALDH1A1CYP3A4
SCHEMBL18000003 0.78 CRHR1 (0.44) CRHR1ALDH1A1CYP3A4
SCHEMBL29719717 0.78 NOTUM (0.53) GRM2NOTUMS100A4CYP3A4AHR
SCHEMBL24972563 0.77 S100A4 (0.46) S100A4ALDH1A1KDM4ERXFP1
SCHEMBL30223443 0.77 S100A4 (0.46) S100A4ALDH1A1KDM4ERXFP1
SCHEMBL30984364 0.77 NPC1 (0.49) GRM2CRHR1NOTUMS100A4ALDH1A1
SCHEMBL3743600 0.77 CYP1A2 (0.59) ALDH1A1KDM4ERXFP1
SCHEMBL13176936 0.77 NPC1 (0.49) GRM2CRHR1NOTUMS100A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9991452-B2 Condensed-cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-06-05 US disclosed
US-20160190448-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-30 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 (1 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-20160190448-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNE2, CRY1 GRM2 1679/4885CRHR1 270/4885NOTUM 4166/4885

“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.