SCHEMBL2407958

SCHEMBL2407958

OB(c1ccc(F)cc1F)c1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
ORAI3 Q9BRQ5 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NFE2L2 Q16236 2/20 0.34
IDO1 P14902 1/20 0.34
AGXT P21549 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GRIN2D O15399 1/20 0.34

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
SCHEMBL39406 0.85 CES2 (0.43) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL29395656 0.85 CES2 (0.43) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL26576590 0.81 CES2 (0.40) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL6340971 0.79 ALDH1A1 (0.46) CES2CES1CA3CA6CA5A
SCHEMBL30570479 0.79 ALDH1A1 (0.46) CES2CES1CA3CA6CA5A
SCHEMBL14703761 0.78 CES2 (0.38) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL17236452 0.77 ALDH1A1 (0.44) CES2CES1CA3CA6CA5A
SCHEMBL2404902 0.76 KMT2A (0.36) ORAI1ORAI2ORAI3TRPV6ALDH1A1
SCHEMBL19171232 0.76 ORAI1 (0.41) ORAI1ORAI2ORAI3TRPV6CES2
SCHEMBL16976767 0.76 IDO1 (0.41) ORAI1ORAI2ORAI3TRPV6CES2

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-8853424-B2 Protein cross-linking inhibitor JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-07 US disclosed
US-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-01 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-20110212919-A1 PROTEIN CROSS-LINKING INHIBITOR BAZ2B, PRMT1, BRIX1 ORAI1 4605/4885ORAI2 3906/4885ORAI3 4036/4885

“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.