SCHEMBL108128

SCHEMBL108128

CCC/C=C/c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
HTR2A P28223 3/20 0.50
IDO1 P14902 2/20 0.48
PAM P19021 1/20 0.48
MAOB P27338 1/20 0.46
RELA Q04206 1/20 0.45
HDAC3 O15379 1/20 0.43
TNKS O95271 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HCAR2 Q8TDS4 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL78219 1.00 SIGMAR1 (0.53) SIGMAR1HTR2AIDO1PAMMAOB
Benzene SCHEMBL1226215 1.00 SIGMAR1 (0.53) SIGMAR1HTR2AIDO1PAMMAOB
SCHEMBL28490848 1.00 SIGMAR1 (0.53) SIGMAR1HTR2AIDO1PAMMAOB
Benzene SCHEMBL1226219 1.00 SIGMAR1 (0.53) SIGMAR1HTR2AIDO1PAMMAOB
Anthracene SCHEMBL28105538 0.90 TLR8 (0.47) SIGMAR1HTR2AIDO1PAMRELA
SCHEMBL28386776 0.87 CA1 (0.46) SIGMAR1HTR2ARELAHDAC3HDAC4
SCHEMBL27816694 0.87 HTR2A (0.49) SIGMAR1HTR2AIDO1PAMRELA
SCHEMBL15573543 0.86 SIGMAR1 (0.50) SIGMAR1HTR2AIDO1PAMMAOB
SCHEMBL1295478 0.86 SIGMAR1 (0.50) SIGMAR1HTR2AIDO1PAMMAOB
SCHEMBL22082 0.86 SIGMAR1 (0.50) SIGMAR1HTR2AIDO1PAMMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121575410-A Phosphorus-free high-temperature corrosion inhibitor and preparation method thereof 金浦新材料股份有限公司 2026-02-27 CN claimed
CN-112710743-B Separation and detection method for impurities in carbonate solvent and application thereof 山东海科新源材料科技股份有限公司 2022-08-19 CN claimed
US-9242918-B2 Dehydrogenation processes and phenol compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-01-26 US claimed
US-20130296614-A1 Dehydrogenation Processes and Phenol Compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-11-07 US claimed
WO-2012036819-A1 DEHYDROGENATION PROCESS OF CYCLOHEXANONE AND PHENOL COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-22 WO claimed
EP-2280075-A1 Biocatalyst for catalytic hydroamination BASF SE (DE) 2011-02-02 EP claimed
US-7776975-B2 Aqueous polymerization process for preparing an aqueous polymer dispersion ROHM AND HAAS COMPANY (US) 2010-08-17 US claimed
EP-2195440-A2 BIOFUEL PRODUCTION Bio Architecture Lab, Inc. (US) 2010-06-16 EP claimed
US-20090155873-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-18 US claimed
US-20090139134-A1 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-06-04 US claimed
WO-2009046375-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
WO-2009046370-A2 BIOFUEL PRODUCTION BIO ARCHITECTURE LAB, INC. (US) 2009-04-09 WO claimed
EP-1288235-B1 Agents for the improvement of the vulcanisation behaviour in the preparation of grafted or crosslinked polymers and filled resins EVONIK DEGUSSA GMBH (DE) 2008-02-20 EP claimed
US-6864323-B2 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSSA AG (DE) 2005-03-08 US claimed
US-20030114604-A1 Composition for improving scorch conditions in the preparation of grafted and/or crosslinked polymers and of filled plastics DEGUSA AG (DE) 2003-06-19 US claimed
CN-121575410-A Phosphorus-free high-temperature corrosion inhibitor and preparation method thereof 金浦新材料股份有限公司 2026-02-27 CN disclosed
EP-3230463-B2 RAPID PRETREATMENT APALTA PATENTS OUE (EE) 2025-07-16 EP disclosed
US-RE30812-E ANTIARRHTHMIA AGENTS MEAD JOHNSON & COMPANY (US) 1981-12-01 US disclosed
US-4012305-A DIMERIZATION OF STYRENES BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1977-03-15 US disclosed
US-3998894-A DIMERIZATION AND CYCLIZATION OF A STYRENE AND A HAL GENO-STYRENE BASF AKTIENGESELLSCHAFT (DT) 1976-12-21 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-20130296614-A1 Dehydrogenation Processes and Phenol Compositions HPD, CYP2E1, CYP2J2 SIGMAR1 1686/4885HTR2A 1194/4885IDO1 868/4885
US-20090139134-A1 BIOFUEL PRODUCTION MGAM, DCXR, MANBA SIGMAR1 4688/4885HTR2A 3731/4885IDO1 2541/4885

“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.