SCHEMBL427612

SCHEMBL427612

CCCc1cccc(OCC)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.58
CHRM1 P11229 1/20 0.58
CHRM3 P20309 1/20 0.58
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
PPARA Q07869 3/20 0.50
PPARG P37231 2/20 0.50
DHFR P00374 1/20 0.48
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP2D6 P10635 4/20 0.46
KCNH2 Q12809 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
SCHEMBL8986274 0.89 PPARA (0.59) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL12251513 0.87 PPARA (0.66) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL1573259 0.85 PPARA (0.68) CHRM2CHRM1CHRM3PPARAPPARG
SCHEMBL5253613 0.85 PPARA (0.68) CHRM2CHRM1CHRM3PPARAPPARG
SCHEMBL3509568 0.85 PPARA (0.68) CHRM2CHRM1CHRM3PPARAPPARG
SCHEMBL9011843 0.85 PPARA (0.68) CHRM2CHRM1CHRM3PPARAPPARG
SCHEMBL3031884 0.85 CHRM2 (0.55) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL5169461 0.85 PPARA (0.48) CHRM2CHRM1CHRM3PPARAPPARG
SCHEMBL8045887 0.85 CYP4F2 (0.67) CHRM2CHRM1CHRM3TP53CYP3A4
SCHEMBL10280660 0.85 PPARA (0.48) CHRM2CHRM1CHRM3PPARAPPARG

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2022-01-27 US disclosed
US-20180110226-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 US disclosed
US-20170255097-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, PHOTO-CURABLE DRY FILM AND METHOD FOR PRODUCING THE SAME, PATTERNING PROCESS, AND LAMINATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-09-07 US disclosed
US-20160200877-A1 SILICONE SKELETON-CONTAINING POLYMER COMPOUND, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION, PHOTO-CURABLE DRY FILM AND METHOD FOR PRODUCING SAME, PATTERNING PROCESS, LAYERED PRODUCT, SUBSTRATE, AND SEMICONDUCTOR APPARATUS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-07-14 US disclosed
WO-2016020691-A1 MODIFIED NUCLEOTIDE LINKERS ILLUMINA CAMBRIDGE LIMITED (GB) 2016-02-11 WO disclosed
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20130029924-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF Chromatin Technologies (US) 2013-01-31 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-4190652-A Combating pests with O-phenyl-thionothiolalkanephosphonic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1980-02-26 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 (6 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-20180110226-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SQOR, DDT, QSOX1 CHRM2 415/4885CHRM1 301/4885CHRM3 634/4885
US-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 CHRM2 3122/4885CHRM1 3685/4885CHRM3 2175/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 CHRM2 135/4885CHRM1 111/4885CHRM3 122/4885
US-20130029924-A1 GLYCOSYLATED VALPROIC ACID ANALOGS AND USES THEREOF HDAC3, VGF, HDAC1 CHRM2 3697/4885CHRM1 4198/4885CHRM3 4323/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK CHRM2 541/4885CHRM1 594/4885CHRM3 375/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CHRM2 151/4885CHRM1 76/4885CHRM3 208/4885

“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.