SCHEMBL20172909

SCHEMBL20172909

Cc1ccccc1N(C)c1cccc2c1sc1c(C(C)(C)C)cccc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
HSD17B1 P14061 2/20 0.34
HSD17B2 P37059 2/20 0.34
KIF11 P52732 1/20 0.33
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 0.30

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
SCHEMBL20172907 0.90 KIF11 (0.35) KIF11CA2ALDH1A1
SCHEMBL20172878 0.89 GABRA1 (0.37) GABRA1GABRB2HSD17B1HSD17B2KIF11
SCHEMBL20172915 0.87 HSD17B1 (0.33) HSD17B1HSD17B2KIF11MAPK1NPSR1
SCHEMBL21021504 0.87 HSD17B1 (0.32) GABRA1GABRB2HSD17B1HSD17B2MAPK1
SCHEMBL20172875 0.85 CYP1A2 (0.35) HSD17B1HSD17B2MAPK1NPSR1RXFP1
SCHEMBL20172911 0.84 ALDH1A1 (0.33) KIF11NPSR1ALDH1A1
SCHEMBL20172912 0.84 ACP1 (0.33) KIF11
SCHEMBL23967805 0.84 GABRA1 (0.36) GABRA1GABRB2HSD17B1HSD17B2KIF11
SCHEMBL21021503 0.84 KIF11 (0.33) KIF11CA2ALDH1A1
SCHEMBL20172913 0.82 KIF11 (0.31) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 GABRA1 1285/4885GABRB2 1483/4885HSD17B1 2267/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 GABRA1 2869/4885GABRB2 1956/4885HSD17B1 2644/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 GABRA1 1285/4885GABRB2 1483/4885HSD17B1 2267/4885

“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.