SCHEMBL2516282

SCHEMBL2516282

Oc1ccc(Cc2cccc3ccccc23)cc1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.55
MAPT P10636 1/20 0.55
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
SNCA P37840 2/20 0.50
CETP P11597 1/20 0.49
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP3A4 P08684 1/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL4651451 0.81 AKR1B1 (0.49) CYP2C19CYP3A4ALOX5
SCHEMBL7915037 0.80 MAPK1 (0.65) CYP2C19CYP1A2CYP2C9ALOX5
SCHEMBL31509450 0.80 MAPK1 (0.65) CYP2C19CYP1A2CYP2C9ALOX5
SCHEMBL8963452 0.80 KEAP1 (0.60) CYP2C19CYP3A4
SCHEMBL28651474 0.80 MAPT (0.64) IDH1MAPTCA1CA2CA4
SCHEMBL2536660 0.78 CYP2C19 (0.50) IDH1CETPCYP2C19CYP1A2CYP2C9
SCHEMBL8898655 0.77 MAPT (0.60) IDH1MAPTCA1CA2CA4
SCHEMBL2512174 0.76 CETP (0.49) MAPTCETPCYP2C19CYP1A2CYP2C9
SCHEMBL31145030 0.76 HSPA5 (0.67) CETPCYP2C19CYP1A2CYP2C9HSD17B10
SCHEMBL8963436 0.76 HSPA5 (0.67) CETPCYP2C19CYP1A2CYP2C9HSD17B10

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-4590301-A USING PHENOL OR DIKETONE CYCLOHEXYL COMPOUNDS BARNES-HIND, INC. (US) 1986-05-20 US claimed
EP-0179476-A1 Polymerization inhibitors and polymerization-inhibited solutions of monomers Barnes-Hind, Inc. (US) 1986-04-30 EP claimed
US-8470932-B2 Scalable process for synthesis of a curable wax XEROX CORPORATION (US) 2013-06-25 US disclosed
US-8207274-B2 Solvent-free process for synthesis of a curable wax XEROX CORPORATION (US) 2012-06-26 US disclosed
US-20110247521-A1 SCALEABLE PROCESS FOR SYNTHESIS OF A CURABLE WAX XEROX CORPORATION (US) 2011-10-13 US disclosed
US-20110251334-A1 SOLVENT-FREE PROCESS FOR SYNTHESIS OF A CURABLE WAX XEROX CORPORATION (US) 2011-10-13 US disclosed
US-4590301-A USING PHENOL OR DIKETONE CYCLOHEXYL COMPOUNDS BARNES-HIND, INC. (US) 1986-05-20 US disclosed
EP-0179476-A1 Polymerization inhibitors and polymerization-inhibited solutions of monomers Barnes-Hind, Inc. (US) 1986-04-30 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-20110247521-A1 SCALEABLE PROCESS FOR SYNTHESIS OF A CURABLE WAX HACL2, USP14, USP16 IDH1 4248/4885MAPT 1508/4885CA1 503/4885

“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.