SCHEMBL12745342

SCHEMBL12745342

COc1cc(C(C)=O)ccc1-c1ccc2[nH]c(-c3c(F)cccc3F)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 17/20 0.43
ROCK1 Q13464 17/20 0.43
ABCB1 P08183 1/20 0.41
ORAI1 Q96D31 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL1459697 0.84 CYP1A1 (0.51) ABCB1ORAI1ALDH1A1
SCHEMBL1459974 0.79 ROCK2 (0.42) ROCK2ROCK1ORAI1ALDH1A1
SCHEMBL1458977 0.78 MAPK14 (0.41) ROCK2ROCK1ORAI1ALDH1A1
SCHEMBL1459687 0.77 ORAI1 (0.52) ABCB1ORAI1
SCHEMBL1459868 0.77 KDM4E (0.49) ABCB1ORAI1ALDH1A1
SCHEMBL1459748 0.77 FFAR1 (0.42)
SCHEMBL12825551 0.76 ORAI1 (0.52) ROCK2ROCK1ABCB1ORAI1ALDH1A1
SCHEMBL1459509 0.76 ORAI1 (0.41) ABCB1ORAI1
SCHEMBL1458818 0.75 KDM4E (0.49) ORAI1ALDH1A1
SCHEMBL1460929 0.74 ORAI1 (0.49) ORAI1

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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 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 (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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E ROCK2 860/4885ROCK1 688/4885ABCB1 1106/4885

“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.