SCHEMBL3905545

SCHEMBL3905545

CCCCCCCCCC(O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.48
PPARA Q07869 3/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.43
SLC6A4 P31645 1/20 0.42
CSNK1E P49674 1/20 0.42

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
SCHEMBL10901230 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL28732572 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL11724981 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL8377476 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL11339313 1.00 PPARG (0.48) PPARGPPARAKMT2AKDM4EL3MBTL1
Ammonia Solution, Strong SCHEMBL29170081 0.98 PPARG (0.47) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL7379765 0.98 PPARG (0.46) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL6313224 0.93 TSHR (0.46) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL30594196 0.89 PPARG (0.43) PPARGPPARAKMT2AKDM4EL3MBTL1
SCHEMBL2734713 0.88 ALDH1A1 (0.47) KMT2ATSHRALDH1A1CYP1A2CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090234151-A1 Preparation of Mono-/Difluorinated Hydrocarbon Compounds RHODIA CHIMIE (FR) 2009-09-17 US disclosed
US-7557248-B2 Method of forming a carbon-heteroatom bond RHODIA CHIMIE (FR) 2009-07-07 US disclosed
US-20070243999-A1 Method of Forming a Carbon-Heteroatom Bond RHODIA CHIMIE (FR) 2007-10-18 US disclosed
US-6608232-B1 Acylating an aromatic compound in presence of zeolite or friedel crafts catalyst, reduction to a carbinol and cata-lytic etherification Chimie, Rhodia (FR) 2003-08-19 US disclosed
US-6362378-B1 REACTION WITH AN ALCOHOL; ZEOLITE CATALYST; PERFUMES RHODIA CHIMIE (FR) 2002-03-26 US disclosed
CN-1267277-A Method for etherifying benzyl alcohol, resulting products and applications RHODIA CHIMIE SA (FR) 2000-09-20 CN disclosed
US-5786520-A CATALYTIC VAPOR PHASE REACTION OF PHENOL COMPOUND WITH AN ALCOHOL RHONE-POULENC CHIMIE (FR) 1998-07-28 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-20090234151-A1 Preparation of Mono-/Difluorinated Hydrocarbon Compounds AHR, CYP2E1, CYP2F1 PPARG 210/4885PPARA 159/4885KMT2A 614/4885

“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.