SCHEMBL2011531

SCHEMBL2011531

Cc1c(F)c(F)c(F)c(F)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TAS1R3 Q7RTX0 11/20 0.42
TAS1R1 Q7RTX1 10/20 0.42
TAS1R2 Q8TE23 10/20 0.42
MAPK1 P28482 1/20 0.41
PKM P14618 1/20 0.39
CYP1A2 P05177 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HCAR2 Q8TDS4 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
SCHEMBL7074989 0.92 TAS1R3 (0.41) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL28126998 0.92 MEN1 (0.47) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL2860749 0.90 TAS1R3 (0.44) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL19130691 0.89 MEN1 (0.41) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL503607 0.89 TAS1R3 (0.47) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL6578763 0.89 TAS1R3 (0.42) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL18774734 0.88 CYP1A2 (0.41) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL13447235 0.86 TAS1R3 (0.41) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
Hydrochloric Acid SCHEMBL6740806 0.86 TAS1R3 (0.45) MEN1KMT2ASMN1; SMN2CRHBPCRHR2
SCHEMBL2470702 0.86 TAS1R3 (0.45) MEN1KMT2ASMN1; SMN2CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2815119-B2 1998-10-27 JP claimed
EP-0398967-A1 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1990-11-28 EP claimed
EP-0326891-A2 Antibacterial agents WARNER-LAMBERT COMPANY (US) 1989-08-09 EP claimed
WO-1989006649-A2 ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1989-07-27 WO claimed
US-9829792-B2 Monomer, polymer, positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-11-28 US disclosed
US-9745252-B2 Cross-linking moiety NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-08-29 US disclosed
US-9745252-B2 Cross-linking moiety NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-08-29 US disclosed
US-9745252-B2 Cross-linking moiety NATIONAL UNIVERSITY OF SINGAPORE (SG) 2017-08-29 US disclosed
EP-1964860-B1 ETHYLENE POLYMER, CATALYST FOR PRODUCTION OF ETHYLENE POLYMER, AND PROCESS FOR PRODUCTION OF ETHYLENE POLYMER TOSOH CORP (JP) 2017-07-05 EP disclosed
US-9551029-B2 Methods and kits using extended rhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2017-01-24 US disclosed
US-20170008982-A1 MONOMER, POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-12 US disclosed
US-20170008982-A1 MONOMER, POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-12 US disclosed
EP-0287951-A2 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-10-26 EP disclosed
US-4551546-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-05 US disclosed
US-4429153-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-01-31 US disclosed
EP-0031199-B1 SUBSTITUTED BENZYL ESTERS OF CYCLOPROPANE CARBOXYLIC ACIDS AND THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND METHODS OF COMBATING INSECT PESTS THEREWITH, AND SUBSTITUTED BENZYL ALCOHOLS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-12-14 EP disclosed
US-4405640-A Substituted fluorobenzyl cyclopropane carboxylates useful as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-09-20 US disclosed
EP-0060617-A1 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP disclosed
EP-0031199-A1 Substituted benzyl esters of cyclopropane carboxylic acids and their preparation, compositions containing them and methods of combating insect pests therewith, and substituted benzyl alcohols IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-01 EP disclosed
US-3985799-A 2-Fluoro-6-trifluoromethylbenzoic acid SANDOZ, INC. (US) 1976-10-12 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 (1 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-20170008982-A1 MONOMER, POLYMER, POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS PARG, PARN, MMS19 MEN1 1879/4885KMT2A 496/4885SMN1; SMN2 2250/4885

“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.