SCHEMBL809090

SCHEMBL809090

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

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.48
KHK P50053 1/20 0.41
ALDH1A1 P00352 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CYP11B1 P15538 9/20 0.32
CYP11B2 P19099 9/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
BCAT1 P54687 1/20 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
SCHEMBL31588414 1.00 TRPV4 (0.48) TRPV4KHKALDH1A1CES2CES1
SCHEMBL9297386 0.87 TRPV4 (0.39) TRPV4KHK
SCHEMBL9489852 0.86 TRPV4 (0.42) TRPV4KHKCYP11B1CYP11B2ESR1
SCHEMBL26690821 0.80 TRPV4 (0.45) TRPV4KHKCES2CES1ESR1
SCHEMBL5338291 0.80 TRPV4 (0.45) TRPV4KHKALDH1A1CES2CES1
SCHEMBL8046873 0.80 TRPV4 (0.48) TRPV4KHKALDH1A1CYP11B1CYP11B2
SCHEMBL7649737 0.80 TRPV4 (0.45) TRPV4KHKALDH1A1CES2CES1
SCHEMBL7866631 0.80 TRPV4 (0.45) TRPV4KHKALDH1A1CES2CES1
SCHEMBL25991361 0.80 TRPV4 (0.45) TRPV4KHKCYP11B1CYP11B2ESR1
SCHEMBL25436881 0.78 TRPV4 (0.43) TRPV4KHKALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120028308-A Small molecule Raman probe, bar code probe, encoding method and application thereof 北京大学 2025-05-23 CN claimed
CN-118221702-A Carboline-benzonitrile-based thermal activation delayed fluorescence main material and preparation method and application thereof 东南大学 2024-06-21 CN claimed
WO-2016124694-A1 LIGHT ABSORBER Technische Universität Dresden (DE) 2016-08-11 WO claimed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
EP-1893556-B1 PROCESS FOR PREPARING TETRAFLUOROBENZENE CARBALDEHYDE ALKYL ACETAL SHOWA DENKO KK (JP) 2011-11-16 EP claimed
US-7790931-B2 Process for preparing tetrafluorobenzene carbaldehyde alkyl acetal SHOWA DENKO K.K. (JP) 2010-09-07 US claimed
US-20100105954-A1 PROCESS FOR PREPARING TETRAFLUOROBENZENE CARBALDEHYDE ALKYL ACETAL SHOWA DENKO K.K. (JP) 2010-04-29 US claimed
EP-1534665-B1 PRODUCTION PROCESS OF FLUORINATED BENZONITRILE SHOWA DENKO KK (JP) 2010-04-21 EP claimed
US-7569718-B2 Production process of fluorinated benzonitrile SHOWA DENKO K.K. (JP) 2009-08-04 US claimed
EP-1893556-A2 PROCESS FOR PREPARING TETRAFLUOROBENZENE CARBALDEHYDE ALKYL ACETAL SHOWA DENKO KABUSHIKI KAISHA (JP) 2008-03-05 EP claimed
EP-1534665-A1 PRODUCTION PROCESS OF FLUORINATED BENZONITRILE Showa Denko K.K. (JP) 2005-06-01 EP claimed
CN-1176971-C Polycyanocryl ether and its prepn. method ��ʽ�����ձ���ý 2004-11-24 CN claimed
EP-1149853-B1 Polycyanoaryl ether and method for production thereof NIPPON CATALYTIC CHEM IND (JP) 2004-08-11 EP claimed
WO-2004009535-A1 PRODUCTION PROCESS OF FLUORINATED BENZONITRILE SHOWA DENKO K.K. (JP) 2004-01-29 WO claimed
US-6624336-B1 Acetalization of tetrafluorobenzonitriles using alcohols, in the presence of mineral acids and metal catalysts to form chemical intermediates for nontoxic insecticides SHOWA DENKO K.K. (JP) 2003-09-23 US claimed
US-6506872-B2 Polymerizing a tetrafluorobenzonitrile with an aromatic diol; engineering thermoplatics; improve solubility NIPPON SHOKUBAI CO., LTD. (JP) 2003-01-14 US claimed
EP-1182184-A1 PROCESS FOR PRODUCING TETRAFLUORO BENZENEMETHANOLS Showa Denko K K (JP) 2002-02-27 EP claimed
US-20020007039-A1 Polycyanoaryl ether and method for production thereof NIPPON SHOKUBAI CO., LTD. (JP) 2002-01-17 US claimed
CN-1323846-A Polycyanocryl ether and its prepn. method NIPPON CATALYTIC CHEM IND (JP) 2001-11-28 CN claimed
EP-1149853-A1 Polycyanoaryl ether and method for production thereof Nippon Shokubai Co., Ltd. (JP) 2001-10-31 EP claimed

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-20100105954-A1 PROCESS FOR PREPARING TETRAFLUOROBENZENE CARBALDEHYDE ALKYL ACETAL ADH1A, ADH1C, ALDH1A1 TRPV4 3754/4885KHK 3022/4885ALDH1A1 3/4885

“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.