SCHEMBL17565684

SCHEMBL17565684

c1ccc2c(c1)[nH]c1cc(-c3ccc4c5ccccc5c5ccccc5c4c3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.61
▸ ALDH1A1 P00352 3/20 0.58
▸ GPR3 P46089 2/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ KIF11 P52732 11/20 0.57
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TNKS O95271 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ PARP15 Q460N3 1/20 0.47
▸ TNKS2 Q9H2K2 1/20 0.47
▸ CDK4 P11802 1/20 0.46
▸ CCND1 P24385 1/20 0.46
▸ GABRP O00591 1/20 0.46
▸ GABRD O14764 1/20 0.46

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
SCHEMBL18931245 0.94 AHR (0.55) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL17562347 0.94 AHR (0.55) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL29742954 0.94 AHR (0.70) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL19442036 0.94 AHR (0.70) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL5999272 0.94 AHR (0.70) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL23156747 0.92 AHR (0.61) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL18335692 0.92 AHR (0.61) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL30441461 0.92 AHR (0.68) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL15435875 0.92 AHR (0.68) AHRALDH1A1GPR3HSD17B10KIF11
SCHEMBL30860162 0.92 AHR (0.61) AHRALDH1A1GPR3HSD17B10KIF11

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-10032996-B2 Hetero-cyclic compound and organic light emitting device including the same LG CHEM, LTD. (KR) 2018-07-24 — — US disclosed
US-20160072079-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG CHEM, 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-20160072079-A1 HETERO-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, PER2 AHR 227/4885ALDH1A1 1489/4885GPR3 2060/4885
US-10032996-B2 Hetero-cyclic compound and organic light emitting device including the same CRY1, CRY2, PER2 AHR 227/4885ALDH1A1 1489/4885GPR3 2060/4885

“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.

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