SCHEMBL1998090

SCHEMBL1998090

COc1cc(F)c(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
TAAR1 Q96RJ0 1/20 0.54
CYP1A1 P04798 5/20 0.44
CYP1B1 Q16678 5/20 0.44
CYP1A2 P05177 3/20 0.44
TUBB1 Q9H4B7 2/20 0.42
CYP3A4 P08684 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
NQO2 P16083 1/20 0.40
CA12 O43570 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CPS1 P31327 1/20 0.37
CYP2E1 P05181 2/20 0.37
CYP2C8 P10632 2/20 0.37
CYP2D6 P10635 2/20 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
SCHEMBL8736820 0.86 TAAR1 (0.44) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL25434346 0.85 TAAR1 (0.47) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL24103022 0.85 TAAR1 (0.47) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL24861772 0.83 CYP3A4 (0.54) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL9219925 0.83 TAAR1 (0.50) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL16186496 0.83 TAAR1 (0.41) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL23716750 0.83 TAAR1 (0.45) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL25425757 0.83 TAAR1 (0.45) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL8236956 0.80 ALDH1A1 (0.53) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2
SCHEMBL25356232 0.79 TAAR1 (0.47) ALDH1A1TAAR1CYP1A1CYP1B1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
US-20230359119-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-09 US disclosed
EP-4227342-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-08-16 EP disclosed
US-20230235115-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-07-27 US disclosed
US-20230235115-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-07-27 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same MISSISSIPPI STATE UNIVERSITY (US) 2023-04-04 US disclosed
EP-4116291-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCERS AND INFLAMMATIONS Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-01-11 EP disclosed
US-7482044-B2 Liquid crystalline medium and liquid crystal display MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2009-01-27 US disclosed
US-7438956-B2 Liquid-crystalline medium and liquid-crystal display MERCK PATENT GMBH (DE) 2008-10-21 US disclosed
US-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MERCK PATENT GMBH (DE) 2008-06-19 US disclosed
US-20080124492-A1 Liquid crystalline medium and liquid crystal display MERCK PATENT GMBH 2008-05-29 US disclosed
US-7157455-B2 4-Aminopyrimidine-5-one derivatives HOFFMANN-LA ROCHE INC. (US) 2007-01-02 US disclosed
US-20060229330-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID J 2006-10-12 US disclosed
EP-1628619-A2 4-AMINOPYRIMIDINE-5-ONE F.HOFFMANN-LA ROCHE AG (CH) 2006-03-01 EP disclosed
US-20040162303-A1 4-aminopyrimidine-5-one derivatives BARTKOVITZ DAVID JOSEPH (US) 2004-08-19 US disclosed
WO-2004069139-A2 4-AMINOPYRIMIDIN-5-YL-METHANONE DERIVATIVES FOR INHIBITION OF CDK4 ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2004-08-19 WO disclosed
EP-0786445-B1 DIFLUOROXYMETHANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORP (JP) 2002-07-17 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 (5 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-11618745-B2 Unsymmeirical salts, CCC-NHC pincer metal complexes, and methods of making the same NDC1, INO80C, HLCS ALDH1A1 3911/4885TAAR1 3607/4885CYP1A1 539/4885
US-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MLX, FOXM1, SFXN1 ALDH1A1 4413/4885TAAR1 2166/4885CYP1A1 1164/4885
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION PTGER4, PTGER3, PTGER2 ALDH1A1 1807/4885TAAR1 442/4885CYP1A1 664/4885
US-20040162303-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK6 ALDH1A1 915/4885TAAR1 4776/4885CYP1A1 1856/4885
US-20060229330-A1 4-aminopyrimidine-5-one derivatives CDK4, CDKL4, CDK2 ALDH1A1 1191/4885TAAR1 4677/4885CYP1A1 2865/4885

“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.