SCHEMBL6319704

SCHEMBL6319704

C[CH]C1CCCC2(C)c3ccc(C(C)C)cc3CCC12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.56
▸ RXRA P19793 1/20 0.56
▸ CCNE1 P24864 1/20 0.56
▸ CDK2 P24941 1/20 0.56
▸ RXRB P28702 1/20 0.56
▸ RXRG P48443 1/20 0.56
▸ CYP3A4 P08684 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ PDK1 Q15118 1/20 0.54
▸ PDK2 Q15119 1/20 0.54
▸ PDK3 Q15120 1/20 0.54
▸ PDK4 Q16654 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ MAPK1 P28482 2/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MAPT P10636 1/20 0.53

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
SCHEMBL19018793 0.84 CYP3A4 (0.57) KARS1RXRACCNE1CDK2RXRB
SCHEMBL20866213 0.84 CYP3A4 (0.57) KARS1RXRACCNE1CDK2RXRB
SCHEMBL19696488 0.83 KARS1 (0.54) KARS1RXRACCNE1CDK2RXRB
SCHEMBL19696490 0.82 KARS1 (0.53) KARS1RXRACCNE1CDK2RXRB
SCHEMBL9745072 0.81 CYP3A4 (0.57) KARS1RXRACCNE1CDK2RXRB
SCHEMBL6703673 0.80 CYP3A4 (0.52) KARS1RXRACCNE1CDK2RXRB
SCHEMBL18663759 0.78 CYP3A4 (0.54) KARS1RXRACCNE1CDK2RXRB
SCHEMBL9775101 0.76 CYP3A4 (0.66) KARS1RXRACCNE1CDK2RXRB
SCHEMBL15899658 0.74 CYP3A4 (0.72) KARS1RXRACCNE1CDK2RXRB
SCHEMBL6280790 0.74 CYP3A4 (0.72) KARS1RXRACCNE1CDK2RXRB

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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-01-20 — — US disclosed
US-5039706-A Antiinflammatory, antiallergenic agent DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-08-13 — — 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-20050014810-A1 Use of substituted 2 phenylbenzimidazoles as medicaments GLP1R, GIPR, GCGR KARS1 700/4885RXRA 444/4885CCNE1 725/4885

“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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