SCHEMBL20172878

SCHEMBL20172878

Cc1cccc2c1sc1c(N(C)c3ccccc3C(C)(C)C)cccc12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
KIF11 P52732 1/20 0.33
HSD17B1 P14061 2/20 0.32
HSD17B2 P37059 2/20 0.32
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
SCHEMBL20172909 0.89 GABRA1 (0.37) GABRA1GABRB2KIF11HSD17B1HSD17B2
SCHEMBL20172880 0.87 ACP1 (0.33) KIF11HSD17B1HSD17B2ALDH1A1
SCHEMBL20172868 0.85 GPR3 (0.38) KIF11CA2ALDH1A1
SCHEMBL20172875 0.85 CYP1A2 (0.35) HSD17B1HSD17B2ALDH1A1CYP2A6
SCHEMBL20172888 0.84 KIF11 (0.32) KIF11ALDH1A1
SCHEMBL20172918 0.84 HDAC3 (0.33) KIF11
SCHEMBL20650374 0.84 GABRA1 (0.36) GABRA1GABRB2KIF11
SCHEMBL21020008 0.82 CYP2D6 (0.33) GABRA1GABRB2KIF11
SCHEMBL20172935 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 3 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-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 (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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 GABRA1 1285/4885GABRB2 1483/4885KIF11 3028/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 GABRA1 1285/4885GABRB2 1483/4885KIF11 3028/4885

“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.