SCHEMBL3903441

SCHEMBL3903441

[CH2]c1c(C)cccc1C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
CA2 P00918 2/20 0.46
ALDH1A1 P00352 7/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
TRPA1 O75762 2/20 0.36
ATM Q13315 1/20 0.36
ACHE P22303 1/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
KIF11 P52732 1/20 0.34
NLRP3 Q96P20 1/20 0.34
ALOX12 P18054 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 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
SCHEMBL5061062 0.85 CA2 (0.55) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL25374949 0.79 GABRA1 (0.39) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL201778 0.76
SCHEMBL3167832 0.75 GABRA1 (0.60) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL30660859 0.75 GABRA1 (0.60) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL14877302 0.75 GABRA1 (0.60) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL30407772 0.74 GABRA1 (0.58) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL542212 0.74 GABRA1 (0.58) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL5496813 0.74 GABRA1 (0.58) GABRA1GABRB2CA2ALDH1A1TSHR
SCHEMBL27934749 0.73 CYP1A2 (0.47) GABRA1GABRB2CA2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609807-B2 Method of producing low-dust granules from polymer additives BASF SE (DE) 2013-12-17 US disclosed
US-20090194617-A1 Method of producing low-dust granules from polymer additives CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2009-08-06 US disclosed
EP-1567536-B1 LIQUID PHENOLIC SULPHUR-CONTAINING ANTIOXIDANTS CIBA HOLDING INC (CH) 2009-03-25 EP disclosed
US-7507853-B2 Process for the preparation of phenolic carboxylic acid derivatives by enzymatic catalysis CIBA SPECIALTY CHEMICALS CORPORATION (US) 2009-03-24 US disclosed
EP-1706451-B1 METHOD OF PRODUCING LOW-DUST GRANULES FROM POLYMER ADDITIVES CIBA SC HOLDING AG (CH) 2007-05-09 EP disclosed
EP-1706451-A1 METHOD OF PRODUCING LOW-DUST GRANULES FROM POLYMER ADDITIVES Ciba Specialty Chemicals Holding Inc. (CH) 2006-10-04 EP disclosed
US-20060116301-A1 Liquid phenolic sulphur-containing antioxidants CIBA SPECIALTY CHEMICALS CORP. 2006-06-01 US disclosed
US-20060110807-A1 Process for the preparation of phenolic carboxylic acid derivaties by enzymatic catalysis CIBA SPECIALTY CHEMICALS CORP. 2006-05-25 US disclosed
US-7026438-B2 Liquid phenolic sulphur-containing antioxidants CIBA SPECIALTY CHEMICALS CORP. (US) 2006-04-11 US disclosed
EP-1567536-A1 LIQUID PHENOLIC SULPHUR-CONTAINING ANTIOXIDANTS Ciba SC Holding AG (CH) 2005-08-31 EP disclosed
WO-2005071008-A1 METHOD OF PRODUCING LOW-DUST GRANULES FROM POLYMER ADDITIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-08-04 WO disclosed
EP-1549752-A1 PROCESS FOR THE PREPARATION OF PHENOLIC CARBOXYLIC ACID DERIVATIVES BY ENZYMATIC CATALYSIS Ciba SC Holding AG (CH) 2005-07-06 EP disclosed
US-20040267042-A1 Liquid phenolic sulphur-containing antioxidants CIBA SPECIALTY CHEMICALS CORP. 2004-12-30 US disclosed
WO-2004050671-A1 LIQUID PHENOLIC SULPHUR-CONTAINING ANTIOXIDANTS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-06-17 WO disclosed
WO-2004033699-A1 PROCESS FOR THE PREPARATION OF PHENOLIC CARBOXYLIC ACID DERIVATIVES BY ENZYMATIC CATALYSIS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-04-22 WO 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 (2 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-20040267042-A1 Liquid phenolic sulphur-containing antioxidants TST, COMT, GPX4 GABRA1 2852/4885GABRB2 2385/4885CA2 4239/4885
US-20060116301-A1 Liquid phenolic sulphur-containing antioxidants TST, COMT, SOD1 GABRA1 2520/4885GABRB2 1999/4885CA2 4174/4885

“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.