SCHEMBL2536660

SCHEMBL2536660

Oc1cc(Cc2cccc3ccccc23)c(O)cc1Cc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.50
CYP1A2 P05177 5/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 3/20 0.50
CETP P11597 1/20 0.50
TDP1 Q9NUW8 1/20 0.48
ACP3 P15309 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HSPA5 P11021 1/20 0.46
CYP2D6 P10635 2/20 0.46
NQO1 P15559 1/20 0.46
CTRC Q99895 1/20 0.46
IDH1 O75874 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
SCHEMBL8963436 0.86 HSPA5 (0.67) CYP2C19CYP1A2CYP3A4CYP2C9CETP
SCHEMBL31145030 0.86 HSPA5 (0.67) CYP2C19CYP1A2CYP3A4CYP2C9CETP
SCHEMBL2512174 0.85 CETP (0.49) CYP2C19CYP1A2CYP3A4CYP2C9CETP
SCHEMBL599659 0.85 CYP2C19 (0.62) CYP2C19CYP1A2CYP3A4CYP2C9TDP1
SCHEMBL29490353 0.85 CYP2C19 (0.62) CYP2C19CYP1A2CYP3A4CYP2C9TDP1
SCHEMBL31145042 0.83 CYP2C19 (0.53) CYP2C19CYP1A2CYP3A4CYP2C9CETP
SCHEMBL659516 0.83 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9TDP1
Hydrogen Sulfide SCHEMBL11348128 0.83 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9TDP1
SCHEMBL659517 0.83 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9TDP1
SCHEMBL11339937 0.83 CYP2C19 (0.60) CYP2C19CYP1A2CYP3A4CYP2C9TDP1

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 6 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-20110251334-A1 SOLVENT-FREE PROCESS FOR SYNTHESIS OF A CURABLE WAX XEROX CORPORATION (US) 2011-10-13 US disclosed
US-20110247521-A1 SCALEABLE PROCESS FOR SYNTHESIS OF A CURABLE WAX XEROX CORPORATION (US) 2011-10-13 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-20110247521-A1 SCALEABLE PROCESS FOR SYNTHESIS OF A CURABLE WAX HACL2, USP14, USP16 CYP2C19 1835/4885CYP1A2 892/4885CYP3A4 975/4885

“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.