SCHEMBL10110951

SCHEMBL10110951

Cc1ccc(C)c(-c2ccc(C#N)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
CYP2A6 P11509 1/20 0.56
GRM2 Q14416 1/20 0.46
CYP11B2 P19099 5/20 0.45
CYP11B1 P15538 1/20 0.43
KIF11 P52732 1/20 0.41
KDM1A O60341 4/20 0.41
MMP3 P08254 1/20 0.41
EGLN2 Q96KS0 3/20 0.40
ESRRA P11474 1/20 0.39
MAPK14 Q16539 1/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL14850863 0.85 ALDH1A1 (0.56) ALDH1A1CYP2A6GRM2CYP11B2CYP11B1
SCHEMBL18934331 0.84 ALDH1A1 (0.54) ALDH1A1CYP2A6CYP11B2CYP11B1EGLN2
SCHEMBL26555703 0.83 CYP11B2 (0.44) ALDH1A1CYP2A6CYP11B2CYP11B1KIF11
SCHEMBL10094654 0.81 PTGS1 (0.49) ALDH1A1CYP2A6CYP11B2CYP11B1KIF11
SCHEMBL30445989 0.81 ESRRA (0.46) ALDH1A1CYP2A6ESRRA
SCHEMBL139182 0.81 ESRRA (0.46) ALDH1A1CYP2A6ESRRA
SCHEMBL1046094 0.81 ESRRA (0.46) ALDH1A1CYP2A6ESRRAMAPK14
SCHEMBL29306094 0.80 ALDH1A1 (0.50) ALDH1A1CYP2A6GRM2CYP11B2CYP11B1
SCHEMBL23624582 0.79 ALDH1A1 (0.54) ALDH1A1CYP2A6GRM2CYP11B2KIF11
SCHEMBL7648994 0.78 CYP11B1 (0.46) CYP11B2CYP11B1EGLN2ESRRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-9536633-B2 Metallic composite and composition thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-01-03 US disclosed
US-9412487-B2 Silver-(conjugated compound) composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-08-09 US disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 US disclosed
US-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 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-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF CDH1, EPCAM, CD4 ALDH1A1 932/4885CYP2A6 3687/4885GRM2 861/4885

“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.