SCHEMBL540542

SCHEMBL540542

CCOC(=O)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
KDM4E B2RXH2 4/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 2/20 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
SCHEMBL30172263 1.00 TSHR (0.52) TSHRALDH1A1L3MBTL1CA12CA1
SCHEMBL20267555 0.88 ALDH1A1 (0.50) TSHRALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL29891158 0.88 TSHR (0.52) TSHRALDH1A1L3MBTL1CA12CA1
SCHEMBL1671910 0.88 TSHR (0.52) TSHRALDH1A1L3MBTL1CA12CA1
SCHEMBL13117819 0.85 TSHR (0.53) TSHRALDH1A1L3MBTL1KDM4EPOLB
SCHEMBL1998616 0.84 CES2 (0.60) TSHRL3MBTL1CA12CA1CA2
SCHEMBL695717 0.82 CFTR (0.51) TSHRALDH1A1L3MBTL1CA12CA1
SCHEMBL4628672 0.82 TSHR (0.60) TSHRALDH1A1L3MBTL1CA12CA1
SCHEMBL13204699 0.80 ALDH1A1 (0.51) ALDH1A1L3MBTL1KDM4EPOLBSMN1; SMN2
SCHEMBL5247862 0.80 TSHR (0.57) TSHRALDH1A1CA12CA1CA2

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
CN-115677472-A Synthetic method of drug intermediate and application of drug intermediate in synthesis of chlorofluoromethrin 辽宁大学 2023-02-03 CN claimed
CN-115677472-A Synthetic method of drug intermediate and application of drug intermediate in synthesis of chlorofluoromethrin 辽宁大学 2023-02-03 CN disclosed
US-20150152086-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-04 US disclosed
US-8980937-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2015-03-17 US disclosed
US-20120232278-A1 Insecticidal Aryl Pyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-09-13 US disclosed
EP-2463265-A2 Process for the preparation of insecticidal aryl pyrrolidines Bayer CropScience AG (DE) 2012-06-13 EP disclosed
US-8188122-B2 Insecticidal aryl pyrrolidines BAYER CROPSCIENCE AG (DE) 2012-05-29 US disclosed
EP-2148853-B1 INSECTICIDAL ARYL PYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-02-08 EP disclosed
CN-102186809-A Insecticidal 4-phenyl-1h-pyrazoles BAYER CROPSCIENCE AG 2011-09-14 CN disclosed
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles BAYER CROP SCIENCE AG (DE) 2011-08-04 US disclosed
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 EP disclosed
WO-1999020606-A2 PIPERIDINES AND PIPERAZINES AS PLATELET AGGREGATION INHIBITORS J. URIACH & CIA. S.A. (ES) 1999-04-29 WO disclosed
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed
EP-0703913-B1 IMIDAZOLES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-06-11 EP disclosed
EP-0703913-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029299-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-12-22 WO 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 (4 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-20120232278-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 TSHR 846/4885ALDH1A1 261/4885L3MBTL1 2011/4885
US-20150152086-A1 Insecticidal Aryl Pyrrolidines DDT, ITPR3, CYP51A1 TSHR 846/4885ALDH1A1 261/4885L3MBTL1 2011/4885
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC TSHR 1383/4885ALDH1A1 1345/4885L3MBTL1 1537/4885
US-20110190365-A1 Insecticidal 4-phenyl-1H-pyrazoles CYP4X1, CYP4B1, CYP3A4 TSHR 3335/4885ALDH1A1 1129/4885L3MBTL1 1457/4885

“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.