SCHEMBL5338291

SCHEMBL5338291

N#Cc1cc(F)c(F)c(C#N)c1F

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.45
KHK P50053 1/20 0.38
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
ALDH1A1 P00352 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31

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
SCHEMBL7649737 1.00 TRPV4 (0.45) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL7771115 0.87 TRPV4 (0.42) TRPV4KHKESR1ESR2
SCHEMBL809118 0.85 TRPV4 (0.50) TRPV4KHKESR1ESR2CES2
SCHEMBL7557368 0.85 TRPV4 (0.39) TRPV4KHK
SCHEMBL7866631 0.81 TRPV4 (0.45) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL8046873 0.81 TRPV4 (0.48) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL7043988 0.80 KHK (0.43) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL27496969 0.80 TRPV4 (0.41) TRPV4KHKESR1ESR2CYP11B1
SCHEMBL809090 0.80 TRPV4 (0.48) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL31588414 0.80 TRPV4 (0.48) TRPV4KHKESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110752405-A Dendritic crystal inhibitor for negative electrode of lithium metal battery 南京航空航天大学 2020-02-04 CN claimed
WO-2016124694-A1 LIGHT ABSORBER Technische Universität Dresden (DE) 2016-08-11 WO claimed
EP-1001929-B1 METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID BAYER AG (DE) 2003-03-26 EP claimed
US-6462218-B1 BY HYDROLYTIC CLEAVAGE CARRIED OUT IN THE PRESENCE OF ACIDS AND WATER OF ITS AMIDE, ESTER OR CYANO DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2002-10-08 US claimed
EP-1001929-A1 METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID Bayer Aktiengesellschaft (DE) 2000-05-24 EP claimed
CN-1226551-A 5-chloro-2,6-difluoro 1,3-isophthalonitrile-4-(alkyl) amine compounds and production thereof FANG JINGCHANG (CN) 1999-08-25 CN claimed
WO-1999006360-A1 METHOD FOR PREPARING 3-CYANO-2,4-DIHALOGEN-5-FLUOR-BENZOIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1999-02-11 WO claimed
EP-0307897-B1 TRIFLUOROBENZENE COMPOUNDS AND PROCESS FOR PRODUCING THE SAME SDS Biotech K.K. (JP) 1993-03-17 EP claimed
US-5068411-A Hydrolysis of 2,4,5-trifluoroisophthalonitrile in the presence of sulfuric acid to form 2,4,5-trifluoroisophthalic acid SDS BIOTECH K.K. (JP) 1991-11-26 US claimed
US-5021605-A Chemical intermediates SDS BIOTECH K.K. (JP) 1991-06-04 US claimed
US-4925966-A DEFLUORINATION OF TETRAFLUOROISOPHTHALONITRILE WITH METAL HYDRIDE TO MAKE 2,4,5-TRIFLURORISOPHTHALONITRILE SDS BIOTECH K.K. (JP) 1990-05-15 US claimed
EP-0307897-A1 Trifluorobenzene compounds and process for producing the same SDS Biotech K.K. (JP) 1989-03-22 EP claimed
JP-1258639-A None JP disclosed
US-20230265106-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT KYULUX, INC. (JP) 2023-08-24 US disclosed
WO-2023148215-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2023-08-10 WO disclosed
EP-4190791-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT Kyulux, Inc. (JP) 2023-06-07 EP disclosed
EP-0043411-B1 REACTIVE DISAZO DYESTUFFS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING AND PRINTING MATERIALS CONTAINING NITROGEN AND/OR HYDROXYLE GROUPS BAYER AG (DE) 1984-07-11 EP disclosed
EP-0097289-A2 Azo dyestuffs BAYER AG (DE) 1984-01-04 EP disclosed
EP-0050266-A1 Reactive disazo dyes, process for their preparation and their use in dyeing and printing materials that contain hydroxyl and/or nitrogen BAYER AG (DE) 1982-04-28 EP disclosed
EP-0043411-A2 Reactive disazo dyestuffs, process for their preparation and their use in dyeing and printing materials containing nitrogen and/or hydroxyle groups BAYER AG (DE) 1982-01-13 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 (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-20230265106-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND LIGHT-EMITTING ELEMENT CRY1, CCNE2, CRY2 TRPV4 1600/4885KHK 3828/4885ESR1 202/4885

“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.