SCHEMBL439094

SCHEMBL439094

Sc1cccc(-c2ccccc2)c1S

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
BCL2L1 Q07817 1/20 0.42
CYP2A6 P11509 1/20 0.42
MAPK1 P28482 1/20 0.42
BACE1 P56817 1/20 0.39
DPP4 P27487 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
HNF4A P41235 1/20 0.38
HDAC8 Q9BY41 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
BCAT2 O15382 1/20 0.35
PLK4 O00444 1/20 0.35
MAPK9 P45984 1/20 0.35

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
Benzene SCHEMBL11814356 1.00 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Benzene SCHEMBL27896534 1.00 ALDH1A1 (0.42) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
Biphenyl SCHEMBL16581488 0.95 ALDH1A1 (0.41) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL29109039 0.91 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL30648257 0.91 ALDH1A1 (0.39) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL3183499 0.87 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL164357 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6
SCHEMBL5890789 0.81 MEN1 (0.35) ALDH1A1HSD17B10MAPK1HDAC8KMT2A
SCHEMBL31036021 0.81 MEN1 (0.35) ALDH1A1HSD17B10MAPK1HDAC8KMT2A
Biphenyl SCHEMBL3199503 0.79 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDBCL2L1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4637978-A1 METHOD FOR MAKING CROSS-LINKABLE ZWITTERIONIC POLYMER MEMBRANES AND THEIR USE TRUSTEES OF TUFTS COLLEGE (US) 2025-10-29 EP claimed
CN-116768847-B Thiol composition and application thereof in optical material 益丰新材料股份有限公司 2025-04-29 CN claimed
CN-119751323-A Preparation method of polythiol compound 益丰新材料股份有限公司 2025-04-04 CN claimed
US-12187851-B2 Network polymers and methods of making and using same THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2025-01-07 US claimed
CN-118745246-A High refractive material based on biomass magnolol and honokiol 中国科学院上海有机化学研究所 2024-10-08 CN claimed
CN-118684609-A Polythiol compound for avoiding explosion polymerization and material leakage and application thereof 益丰新材料股份有限公司 2024-09-24 CN claimed
CN-118541213-A Polydisulfide core-shell microcapsules 弗门尼舍有限公司 2024-08-23 CN claimed
US-12054607-B2 Tough, healable composites displaying stress relaxation at the resin-filler interface THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2024-08-06 US claimed
WO-2024138098-A1 METHOD FOR MAKING CROSS-LINKABLE ZWITTERIONIC POLYMER MEMBRANES AND THEIR USE TRUSTEES OF TUFTS COLLEGE (US) 2024-06-27 WO claimed
CN-117986216-A Sulfur-containing diacetylene monomer, high-refractive-index polyimide film, and preparation methods and applications thereof 西北工业大学 2024-05-07 CN claimed
CN-111875964-A High-temperature-resistant conductive wave-absorbing sealing material 东阳市聚冉电子科技有限公司 2020-11-03 CN claimed
CN-111592004-A Preparation method of silicon dioxide aerogel and silicon dioxide aerogel 福建拓烯新材料科技有限公司 2020-08-28 CN claimed
CN-111302993-A Preparation method of 4-phenylmercaptothiophenol 新发药业有限公司 2020-06-19 CN claimed
CN-110746973-A Particle, preparation method thereof and quantum dot light-emitting diode TCL集团股份有限公司 2020-02-04 CN claimed
WO-2019183140-A1 TOUGH, HEALABLE COMPOSITES DISPLAYING STRESS RELAXATION AT THE RESIN-FILLER INTERFACE THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2019-09-26 WO claimed
EP-3504251-A1 NETWORK POLYMERS AND METHODS OF MAKING AND USING SAME The Regents of the University of Colorado, a Body Corporate (US) 2019-07-03 EP claimed
WO-2018039331-A1 NETWORK POLYMERS AND METHODS OF MAKING AND USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2018-03-01 WO claimed
US-20160039961-A1 MONODISPERSE MICROSPHERES AND METHOD OF PREPARING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2016-02-11 US claimed
WO-2013067978-A1 A METHOD FOR ANCHORING CARBON NANOPARTICLES ONTO SURFACE OF A BASE MATERIAL AND A SUBSTRATE COMPRISING BASE MATERIAL WITH ANCHORED LAYER OF CARBON NANOPARTICLES VYSOKA SKOLA CHEMICKO-TECHNOLOGICKA V PRAZE (CZ) 2013-05-16 WO claimed
WO-2013067977-A1 A METHOD FOR ANCHORING NANOSTRUCTURES AND/OR LAYER OF GOLD ONTO SURFACE OF A BASE MATERIAL, A SUBSTRATE COMPRISING BASE MATERIAL WITH ANCHORED NANOSTRUCTURES AND/OR LAYER OF GOLD VYSOKA SKOLA CHEMICKO-TECHNOLOGICKA V PRAZE (CZ) 2013-05-16 WO claimed

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-12054607-B2 Tough, healable composites displaying stress relaxation at the resin-filler interface CRH, CNKSR1, RAD51 ALDH1A1 3679/4885HSD17B10 3442/4885HPGD 192/4885

“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.