SCHEMBL4185660

SCHEMBL4185660

c1ccc(CCSSCCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
CASP1 P29466 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 3/20 0.54
CYP2D6 P10635 3/20 0.54
CYP2C19 P33261 3/20 0.54
TDP1 Q9NUW8 2/20 0.52
CYP2A6 P11509 1/20 0.52
HTR2A P28223 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.52
NOS1 P29475 1/20 0.50
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
CALM1 P0DP23 1/20 0.47
CYP3A4 P08684 2/20 0.46

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
SCHEMBL11807012 0.89 CYP2C19 (0.50) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9976789 0.88 TDP1 (0.55) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4262475 0.88 TDP1 (0.55) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11446638 0.87 TP53 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL779766 0.86 NOS1 (0.55) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL775359 0.84 MAOA (0.56) HTR2ANOS1MAOAMAOBSIGMAR1
SCHEMBL10664294 0.84 CYP1A2 (0.46) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL28372919 0.82 HPGD (0.50) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL19969981 0.82 AOC3 (0.43) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL577806 0.81 CYP1A2 (0.76) ALDH1A1HPGDALOX15ALOX12CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122058-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
US-20030176512-A1 Asymmetric disulfides and methods of using same PROLX PHARMACEUTICALS CORPORATION (CA) 2003-09-18 US claimed
CN-114989050-A Synthesis method of symmetric disulfide compound 浙江大学衢州研究院 2022-09-02 CN disclosed
CN-113122058-A Preparation method of ink and quantum dot film TCL集团股份有限公司 2021-07-16 CN disclosed
CN-106278965-B Aryl alkyl asymmetry over cure class compound and its synthetic method and application 华东师范大学 2018-02-23 CN disclosed
CN-106278965-A Aryl alkyl asymmetric over cure compounds and synthetic method thereof and application 华东师范大学 2017-01-04 CN disclosed
CN-102612416-B Silver-(conjugated compound) complex SUMITOMO CHEMICAL CO 2014-09-24 CN disclosed
CN-102612416-A Silver-(conjugated compound) complex SUMITOMO CHEMICAL CO 2012-07-25 CN disclosed
WO-2009082686-A1 COMPOSITIONS AND METHODS FOR USING ASYMMETRIC DISULFIDES PROLX PHARMACEUTICALS CORP. (US) 2009-07-02 WO disclosed
US-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair CIBA SPECIALTY CHEMICALS CORP. 2008-12-04 US disclosed
EP-1786477-A2 METHOD OF PRESELECTION PATIENTS FOR ANTI-VEGF, ANTI-HIF-1 OR ANTI-THIOREDOXIN THERAPY Prolx Pharmaceuticals Corp. (US) 2007-05-23 EP disclosed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed
EP-0781834-A2 Lubricating oil composition NIPPON OIL CO. LTD. (JP) 1997-07-02 EP disclosed
EP-0022634-B1 ACYLATED INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS AND DRUGS COMPRISING THEM TEIJIN LIMITED (JP) 1983-04-06 EP disclosed
EP-0022634-A1 Acylated indole derivatives, processes for their preparation and pharmaceutical compositions and drugs comprising them TEIJIN LIMITED (JP) 1981-01-21 EP disclosed
US-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 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 (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-20080295260-A1 Disulfide Dyes, Composition Comprising them and Method of Dyeing Hair STS, CYP2S1, SQOR ALDH1A1 203/4885HPGD 689/4885ALOX15 2344/4885
US-20030176512-A1 Asymmetric disulfides and methods of using same PRDX3, PDIA5, PRDX5 ALDH1A1 2098/4885HPGD 1245/4885ALOX15 1285/4885

“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.