SCHEMBL6718372

SCHEMBL6718372

COC(=O)c1cccc(-c2cccc(OC)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CDK8 P49336 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SDHB P21912 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
SRC P12931 1/20 0.48
PLAU P00749 3/20 0.48
ERN1 O75460 3/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL30107993 0.85 CDK8 (0.54) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL4895475 0.84 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA3KDM4E
SCHEMBL13680584 0.83 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL5563766 0.82 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3KDM4E
SCHEMBL6714723 0.82 CA12 (0.52) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL958267 0.82 L3MBTL1 (0.60) CNR1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27389465 0.80 CNR1 (0.49) CNR1KDM4EALDH1A1L3MBTL1NPC1
SCHEMBL16553302 0.80 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL67941 0.80 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL959038 0.80 L3MBTL1 (0.61) CNR1GABRG2GABRB3GABRA5GABRA3

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-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 CNR1 511/4885GABRG2 3423/4885GABRB3 3822/4885

“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.