SCHEMBL418183

SCHEMBL418183

O=CCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
IDO1 P14902 5/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
TAAR1 Q96RJ0 3/20 0.44
LMNA P02545 1/20 0.43
AGXT P21549 2/20 0.42
CHRM2 P08172 1/20 0.41
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL9908257 1.00 TRPA1 (0.48) TRPA1IDO1LOXL2TAAR1LMNA
SCHEMBL28253542 0.97 TRPA1 (0.47) TRPA1IDO1LOXL2TAAR1LMNA
SCHEMBL17423600 0.93 MAOB (0.48) TRPA1IDO1LOXL2TAAR1LMNA
SCHEMBL5563797 0.87 LTA4H (0.47) TRPA1IDO1AGXTKMT2AMAOA
SCHEMBL6364651 0.85 MAOB (0.40) TRPA1LMNAKMT2AMAOB
SCHEMBL22944268 0.84 TRPA1 (0.41) TRPA1IDO1LOXL2TAAR1LMNA
Bromobenzene SCHEMBL27691130 0.83 ALDH1A1 (0.42) TRPA1MAOBRAB9A
SCHEMBL27613782 0.80 IDO1 (0.50) TRPA1IDO1LOXL2TAAR1LMNA
SCHEMBL6423021 0.79 TRPA1 (0.41) TRPA1IDO1LOXL2TAAR1LMNA
SCHEMBL6423018 0.79 TRPA1 (0.41) TRPA1IDO1LOXL2TAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4572761-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS Mironid Limited (GB) 2025-06-25 EP claimed
CN-120154006-A Application of p-fluorobenzaldehyde and composition containing p-fluorobenzaldehyde in attracting cotton bollworms 中国农业科学院植物保护研究所 2025-06-17 CN claimed
CN-116113635-B Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2025-03-18 CN claimed
WO-2024038129-A1 COMPOUNDS AND THEIR USE AS PDE4 ACTIVATORS MIRONID LIMITED (GB) 2024-02-22 WO claimed
CN-116113635-A Spiro compounds as melanocortin 4 receptor antagonists and uses thereof 辉瑞公司 2023-05-12 CN claimed
WO-2022130403-A1 NEW QUATERNARY AMMONIUM SALTS FOR TRIFLUOROMETHYLATION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-06-23 WO claimed
CN-107686475-A 2,3,5 3 substituted thiophenes, derivative and its synthetic method 湘潭大学 2018-02-13 CN claimed
WO-2017013593-A1 ISOQUINOLINONE DERIVATIVES AS PARP INHIBITORS LUPIN LIMITED (IN) 2017-01-26 WO claimed
CN-105461680-A Synthetic method of 2-(4-fluorophenyl) thiophene SUZHOU BICHAL BIOTECHNOLOGY CO LTD 2016-04-06 CN claimed
CN-102812011-A [1,5] -diazacyclo-octatetraene derivative MELLITECH 2012-12-05 CN claimed
WO-2008109336-A1 TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-09-12 WO claimed
EP-1699747-B1 METHOD FOR THE PRODUCTION OF 2,3-CIS-SUBSTITUTED 2-ARYL PROPENALS BASF SE (DE) 2008-05-21 EP claimed
US-7276632-B2 Method for the production of 2,3-cis-substituted 2-aryl propenals BASF AKTIENGESELLSCHAFT (DE) 2007-10-02 US claimed
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US claimed
US-20070093681-A1 Method for the production of 2,3-cis-substituted 2-aryl propenals BASF AKTIENGESELLSCHAFT (DE) 2007-04-26 US claimed
CN-1894189-A Process for preparing 2, 3-cis-substituted 2-arylpropenals BASF AG (DE) 2007-01-10 CN claimed
EP-1699747-A2 METHOD FOR THE PRODUCTION OF 2,3-CIS-SUBSTITUTED 2-ARYL PROPENALS BASF AKTIENGESELLSCHAFT (DE) 2006-09-13 EP claimed
EP-1684757-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME AstraZeneca AB (SE) 2006-08-02 EP claimed
WO-2005056498-A2 METHOD FOR THE PRODUCTION OF 2,3-CIS-SUBSTITUTED 2-ARYL PROPENALS BASF AKTIENGESELLSCHAFT (DE) 2005-06-23 WO claimed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 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 (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-20070093681-A1 Method for the production of 2,3-cis-substituted 2-aryl propenals CBR3, ALDH3A1, CYP2J2 TRPA1 1757/4885IDO1 774/4885LOXL2 341/4885
US-20070112000-A1 Chemical compounds HSD11B1, CYP11B1, HSD11B2 TRPA1 1987/4885IDO1 1306/4885LOXL2 1874/4885

“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.