SCHEMBL8046873

SCHEMBL8046873

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

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.48
KHK P50053 1/20 0.38
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
ALDH1A1 P00352 1/20 0.32
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 0.81 TRPV4 (0.45) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL5338291 0.81 TRPV4 (0.45) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL7866631 0.81 TRPV4 (0.45) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL809090 0.80 TRPV4 (0.48) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL31588414 0.80 TRPV4 (0.48) TRPV4KHKESR1ESR2ALDH1A1
SCHEMBL809217 0.80 TRPV4 (0.52) TRPV4
SCHEMBL29728453 0.80 TRPV4 (0.52) TRPV4
SCHEMBL9490015 0.79 TRPV4 (0.56) TRPV4KHKESR1ESR2
SCHEMBL8049906 0.77 TRPV4 (0.41) TRPV4KHKALDH1A1CYP11B1CYP11B2
SCHEMBL7771115 0.77 TRPV4 (0.42) TRPV4KHKESR1ESR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110885525-A Anti-aging high-molecular flame-retardant waterproof material and preparation method thereof 石旭艳 2020-03-17 CN claimed
US-4556426-A HALOGENATED AROMATIC DINITRILES TILE COUNCIL OF AMERICA, INC. (US) 1985-12-03 US claimed
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
US-20230011206-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE IDEMITSU KOSAN CO.,LTD. (JP) 2023-01-12 US disclosed
CN-110885525-A Anti-aging high-molecular flame-retardant waterproof material and preparation method thereof 石旭艳 2020-03-17 CN disclosed
CN-110885525-A Anti-aging high-molecular flame-retardant waterproof material and preparation method thereof 石旭艳 2020-03-17 CN disclosed
US-6020517-A Process for production of benzonitrile and benzyl alcohol SHOWA DENKO K.K. (JP) 2000-02-01 US disclosed
US-4556426-A HALOGENATED AROMATIC DINITRILES TILE COUNCIL OF AMERICA, INC. (US) 1985-12-03 US disclosed
US-4177288-A FUNGICIDES, COPPER SALTS AND SURFACTANTS WITH HALOGENATED BENZONITRILES CITIES SERVICE COMPANY (US) 1979-12-04 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-20230011206-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC APPLIANCE MLX, H1-0, RER1 TRPV4 2185/4885KHK 4784/4885ESR1 190/4885

“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.