SCHEMBL879205

SCHEMBL879205

Cc1cc(C)cc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.44
GRIN2B Q13224 2/20 0.44
FFAR4 Q5NUL3 2/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
SCN10A Q9Y5Y9 10/20 0.38

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
SCHEMBL816347 0.95 GPR3 (0.44) GPR3GRIN2BFFAR4ALDH1A1CYP3A4
SCHEMBL10978352 0.89 ALDH1A1 (0.50) GPR3GRIN2BFFAR4ALDH1A1CYP3A4
SCHEMBL12994806 0.86 ALDH1A1 (0.48) GPR3GRIN2BFFAR4ALDH1A1CYP3A4
SCHEMBL10207749 0.86 GPR3 (0.40) GPR3GRIN2BFFAR4ALDH1A1CYP3A4
SCHEMBL16951639 0.84 GPR3 (0.39) GPR3GRIN2BFFAR4ALDH1A1CYP3A4
SCHEMBL13180039 0.84 RAPGEF4 (0.39) GPR3GRIN2BFFAR4
SCHEMBL12885911 0.84 GPR3 (0.39) GPR3GRIN2BFFAR4ALDH1A1MAPK1
SCHEMBL20962938 0.84 ALDH1A1 (0.48) GPR3GRIN2BFFAR4ALDH1A1SMN1; SMN2
SCHEMBL16951461 0.84 GPR3 (0.39) GPR3GRIN2BFFAR4ALDH1A1CYP3A4
SCHEMBL13841332 0.84 NOTUM (0.42) GPR3GRIN2BFFAR4SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP claimed
EP-3692101-B1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTR S R L (IT) 2022-01-12 EP disclosed
WO-2021155321-A2 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed
EP-3692101-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES Alfa Instruments S.r.l. (IT) 2020-08-12 EP disclosed
WO-2020160180-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed
WO-2020150385-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed
WO-2019068935-A1 BRILLIANT BLUE (BBG) DYE DERIVATIVES AND STAINING COMPOSITIONS COMPRISING THE SAME FOR SELECTIVELY STAINING BIOLOGICAL SUBSTRATES ALFA INSTRUMENTS S.R.L. (IT) 2019-04-11 WO disclosed
US-9708270-B2 Substituted spiropiperidinyl compounds useful as GPR120 agonists MERCK SHARP & DOHME CORP. (US) 2017-07-18 US disclosed
US-9647218-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2017-05-09 US disclosed
US-9221827-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-29 US disclosed
US-20090312432-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-12-17 US disclosed
US-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 US disclosed
US-7479531-B2 Copolymer of ethylene and/or propylene; and octen-1-ol,7-octen-1-ol trimethylsilyl ether, octenyl acetate, 5-norbornen-2-yl acetate, 5-norbornen-2-ol and/or 5-norbornen-2-ol trimethylsilyl ether; transition metal catalyst comprising 2-arylazo- or 2-arylphosphazo- phenoxide ligand EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-01-20 US disclosed
US-7479531-B2 Copolymer of ethylene and/or propylene; and octen-1-ol,7-octen-1-ol trimethylsilyl ether, octenyl acetate, 5-norbornen-2-yl acetate, 5-norbornen-2-ol and/or 5-norbornen-2-ol trimethylsilyl ether; transition metal catalyst comprising 2-arylazo- or 2-arylphosphazo- phenoxide ligand EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-01-20 US disclosed
US-7285609-B2 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-23 US disclosed
US-7285609-B2 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-23 US disclosed
EP-1626976-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM EXXONMOBIL CHEM PATENTS INC (US) 2007-10-17 EP disclosed
EP-1626999-B1 OLEFIN POLYMERIZATION CATALYST SYSTEM USEFUL FOR POLAR MONOMERS EXXONMOBIL CHEM PATENTS INC (US) 2007-09-26 EP disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 US disclosed
US-20070197751-A1 Olefin polymerization catalyst system useful for polar monomers EXXONMOBIL CHEMICAL PATENTS INC. 2007-08-23 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 (2 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-20090312432-A1 FLUOROSURFACTANTS SGMS2, FASN, SGMS1 GPR3 87/4885GRIN2B 2565/4885FFAR4 39/4885
US-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 GPR3 64/4885GRIN2B 3149/4885FFAR4 1216/4885

“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.