SCHEMBL9909393

SCHEMBL9909393

CCC(C)Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.53
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
IDO1 P14902 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TAAR1 Q96RJ0 3/20 0.39
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37

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
SCHEMBL13165979 1.00 TRPA1 (0.53) TRPA1MAOAMAOBLMNATDP1
SCHEMBL13165980 1.00 TRPA1 (0.53) TRPA1MAOAMAOBLMNATDP1
SCHEMBL19231862 0.83 TRPA1 (0.50) TRPA1MAOAMAOBLMNATDP1
SCHEMBL22257241 0.83 TRPA1 (0.50) TRPA1MAOAMAOBLMNATDP1
SCHEMBL24244793 0.82 TRPA1 (0.53) TRPA1MAOAMAOBLMNAIDO1
SCHEMBL15161169 0.81 TP53 (0.42) TRPA1TDP1TAAR1PPARG
SCHEMBL18567215 0.81 TRPA1 (0.44) TRPA1MAOAMAOBTDP1LOXL2
SCHEMBL1011189 0.80 TRPA1 (0.52) TRPA1MAOAMAOBIDO1LOXL2
SCHEMBL8522755 0.80 TRPA1 (0.68) TRPA1MAOAMAOBIDO1LOXL2
SCHEMBL3932320 0.80 TRPA1 (0.68) TRPA1MAOAMAOBIDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 WO disclosed
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS MERCK SHARP & DOHME LLC (US) 2023-11-16 US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-11572364-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-07 US disclosed
US-20210228723-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. 2021-07-29 US disclosed
US-11059826-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-07-13 US disclosed
EP-3438095-B1 PYRIDAZINONE COMPOUND OR ITS SALT, AND HERBICIDE CONTAINING IT ISHIHARA SANGYO KAISHA (JP) 2021-06-16 EP disclosed
WO-2021080511-A1 METHODS OF BORYLATION AND USES THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2021-04-29 WO disclosed
US-10934283-B2 COMT inhibiting methods and compositions LIEBER INSTITUTE, INC. (US) 2021-03-02 US disclosed
US-9551721-B2 Identification of small molecules recognized by antibodies in subjects with neurodegenerative diseases THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-01-24 US disclosed
US-8883824-B2 3-(4-aminophenyl)-2-furancarboxylic acid derivative and pharmaceutically acceptable salt thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2014-11-11 US disclosed
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS S.A. (CH) 2012-06-07 US disclosed
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-03-08 US disclosed
WO-2010149684-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-29 WO disclosed
EP-0107492-B1 HELICHROMIC-SMECTIC LIQUID CRYSTAL COMPOSITIONS AND DISPLAY CELLS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-08-09 EP disclosed
EP-0044666-B1 HELICHROMIC COMPOUNDS AND DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-05-29 EP disclosed
US-4514045-A DICHROISM; COMPLETE LIGHT ABSORPTION; LOW VOLTAGE; CONTRAST MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-04-30 US disclosed
EP-0107492-A2 Helichromic-smectic liquid crystal compositions and display cells MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-05-02 EP disclosed
EP-0044666-A2 Helichromic compounds and displays MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-01-27 EP 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 (9 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 TRPA1 2379/4885MAOA 3707/4885MAOB 2823/4885
US-20120142748-A1 NOVEL CANNABINOID RECEPTOR LIGANDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION CNR1, CNR2, GPR18 TRPA1 395/4885MAOA 2524/4885MAOB 2144/4885
US-20230365531-A1 INHIBITORS OF HUMAN RESPIRATORY SYNCYTIAL VIRUS AND METAPNEUMO VIRUS METAP1, SARS1, RTF1 TRPA1 4858/4885MAOA 2475/4885MAOB 1698/4885
US-11572364-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP TRPA1 4588/4885MAOA 2764/4885MAOB 1413/4885
US-11059826-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP TRPA1 4588/4885MAOA 2764/4885MAOB 1413/4885
US-20120059012-A1 3-(4-AMINOPHENYL)-2-FURANCARBOXYLIC ACID DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACSL3, SLCO4C1, SLC38A7 TRPA1 962/4885MAOA 534/4885MAOB 737/4885
US-20210228723-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE ZFX, F13B, GRN TRPA1 4742/4885MAOA 1008/4885MAOB 648/4885
US-10934283-B2 COMT inhibiting methods and compositions COMT, MAOB, MAOA TRPA1 4066/4885MAOA 3/4885MAOB 2/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP TRPA1 4588/4885MAOA 2764/4885MAOB 1413/4885

“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.