SCHEMBL12779403

SCHEMBL12779403

C=c1ccc2c(c1)Oc1cc(O)ccc1C=2c1ccc(NC(=O)NCCCCCNC(C)(C)C)cc1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.34
▸ CA9 Q16790 1/20 0.33
▸ FTO Q9C0B1 1/20 0.32
▸ EPHX1 P07099 9/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CASR P41180 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31
▸ BRCA1 P38398 1/20 0.31
▸ YWHAG P61981 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL12291666 0.81 KDM4C (0.40) CA9ALDH1A1HTTMEN1KMT2A
SCHEMBL10015993 0.81 FTO (0.33) CA9FTOMEN1USP2POLB
SCHEMBL12171475 0.75 MEN1 (0.39) CA9MEN1USP2POLBHSP90AA1
SCHEMBL12678084 0.74 HSD17B10 (0.38) CA9ALDH1A1HTTMEN1USP2
SCHEMBL19749039 0.74 HSD17B10 (0.35) MEN1USP2POLBHSP90AA1HSP90AB1
SCHEMBL14620246 0.73 HSD17B10 (0.39) CA9ALDH1A1MEN1USP2POLB
SCHEMBL19543327 0.72 HSP90AB1 (0.35) ALDH1A1HTTMEN1USP2POLB
SCHEMBL12926177 0.72 MEN1 (0.53) CA9FTOALDH1A1HTTMEN1
SCHEMBL17930252 0.71 MEN1 (0.39) CA9ALDH1A1MEN1USP2POLB
SCHEMBL19543149 0.71 HSD17B10 (0.36) MEN1USP2POLBHSP90AA1HSP90AB1

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-8841285-B2 Potent immunosuppressive agents, derivatives and uses THE TEXAS A&M UNIVERSITY SYSTEM (US) 2014-09-23 — — US disclosed
US-20110053994-A1 POTENT IMMUNOSUPPRESSIVE AGENTS, DERIVATIVES AND USES THE TEXAS A & M UNIVERSITY SYSTEM (US) 2011-03-03 — — 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-20110053994-A1 POTENT IMMUNOSUPPRESSIVE AGENTS, DERIVATIVES AND USES EIF4A1, EIF4EBP1, EIF4A3 RAB9A 1853/4885CA9 4523/4885FTO 1711/4885

“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.

Send feedback