SCHEMBL9974576

SCHEMBL9974576

CCCCCC(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.43
LPAR1 Q92633 1/20 0.43
LPAR3 Q9UBY5 1/20 0.43
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.39
FAAH O00519 8/20 0.37
CES1 P23141 6/20 0.36
FDPS P14324 4/20 0.36
GGPS1 O95749 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL17510336 1.00 CES2 (0.43) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL45377 0.97 CES2 (0.46) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL6037238 0.97 CES2 (0.46) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL30892683 0.97 CES2 (0.46) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL22268683 0.97 CES2 (0.46) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL17510328 0.97 CES2 (0.46) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL45268 0.97 CES2 (0.46) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL17136266 0.91 TSHR (0.35) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL1221382 0.91 TSHR (0.35) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL19322682 0.84 CES1 (0.53) CES2LPAR1LPAR3TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021212512-A1 BATTERY COOLANT AND BATTERY ENCAPSULATION STRUCTURE 东莞新能德科技有限公司 (CN) 2021-10-28 WO claimed
US-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2023-02-09 US disclosed
WO-2022140252-A1 NANOMATERIALS COMPRISING ESTER-LINKED ACETALS BEAM THERAPEUTICS INC. (US) 2022-06-30 WO disclosed
US-9657124-B2 Halogen copolymers comprising at least one repetitive vinyl ether unit having one carbonate pendant group COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-05-23 US disclosed
US-9562122-B2 Compound, resin, resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-07 US disclosed
US-20160053032-A1 COMPOUND, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-25 US disclosed
US-20150191761-A1 USE OF HIGH FLUX SCFA-DERIVATIZED MONOSACCHARIDES IN RECOMBINANT GLYCOPROTEIN PRODUCTION THE JOHNS HOPKINS UNIVERSITY 2015-07-09 US disclosed
EP-2627682-B1 HALOGENATED COPOLYMERS COMPRISING AT LEAST ONE VINYL ETHER REPEAT UNIT BEARING A CARBONATE PENDENT GROUP COMMISSARIAT L ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-05-13 EP disclosed
US-20130280620-A1 HALOGEN COPOLYMERS COMPRISING AT LEAST ONE REPETITIVE VINYL ETHER UNIT HAVING ONE CARBONATE PENDANT GROUP COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2013-10-24 US disclosed
EP-2627682-A1 HALOGENATED COPOLYMERS COMPRISING AT LEAST ONE VINYL ETHER REPEAT UNIT BEARING A CARBONATE PENDENT GROUP Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2013-08-21 EP disclosed
US-20120157421-A1 17Beta-Alkyl-17Alpha-oxy-estratrienes BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 US disclosed
WO-2012049070-A1 HALOGENATED COPOLYMERS COMPRISING AT LEAST ONE VINYL ETHER REPEAT UNIT BEARING A CARBONATE PENDENT GROUP Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2012-04-19 WO disclosed
WO-2010139411-A2 17β-ALKYL-17α-OXY-ESTRATRIENES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-09 WO disclosed
EP-2258375-A1 17B-alkyl-17alpha-oxy-estratrienes Bayer Schering Pharma Aktiengesellschaft (DE) 2010-12-08 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 (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-20230041563-A1 N-(1,3,4-OXADIAZOL-2-YL)ARYLCARBOXAMIDES OR SALTS THEREOF, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND USES THEREOF CYP2B6, CBR3, CYP2A6 CES2 256/4885LPAR1 3744/4885LPAR3 2736/4885
US-20160053032-A1 COMPOUND, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN RER1, RFC1, RFC2 CES2 1498/4885LPAR1 111/4885LPAR3 524/4885
US-20120157421-A1 17Beta-Alkyl-17Alpha-oxy-estratrienes CYP19A1, HSD17B11, CYP17A1 CES2 784/4885LPAR1 2210/4885LPAR3 1996/4885
US-20150191761-A1 USE OF HIGH FLUX SCFA-DERIVATIZED MONOSACCHARIDES IN RECOMBINANT GLYCOPROTEIN PRODUCTION SLC35A1, FUT5, SLC17A5 CES2 1651/4885LPAR1 1636/4885LPAR3 1490/4885

“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.