SCHEMBL318772

SCHEMBL318772

Oc1cc(F)c(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.48
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
HSD17B10 Q99714 2/20 0.37
ADRB2 P07550 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1A P35348 1/20 0.37
HSD17B1 P14061 4/20 0.37
HSD17B2 P37059 4/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
APEX1 P27695 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
Fluoride SCHEMBL31295684 0.97 CA9 (0.46) CA9CA3CA6CA5ACA14
SCHEMBL5513421 0.93 CA9 (0.53) CA9CA3CA6CA5ACA14
SCHEMBL5511692 0.89 CA9 (0.50) CA9CA3CA6CA5ACA14
SCHEMBL19667454 0.85 ADRA2A (0.46) CA9CA3CA6CA5ACA14
SCHEMBL29495591 0.85 ADRA2A (0.46) CA9CA3CA6CA5ACA14
SCHEMBL3677612 0.80 ESR1 (0.52) CA9CA3CA6CA5ACA14
SCHEMBL14783939 0.76 MAPT (0.42) CA9CA3CA6CA5ACA14
SCHEMBL6744533 0.76 CA3 (0.40) CA9CA3CA6CA5ACA14
SCHEMBL2916768 0.76 CA3 (0.40) CA9CA3CA6CA5ACA14
SCHEMBL21614392 0.76 CA3 (0.40) CA9CA3CA6CA5ACA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119119861-A Preparation method of novel fluorine-containing pyridine type benzoxazine resin friction layer for liquid drop nano generator 内蒙古大学 2024-12-13 CN claimed
JP-4831966-B2 2011-12-07 JP claimed
US-7622534-B2 Epoxidation of olefin/diene copolymers using hydrogen peroxide EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-11-24 US claimed
WO-2008130435-A2 EPOXIDATION OF OLEFIN/DIENE COPOLYMERS USING HYDROGEN PEROXIDE EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-10-30 WO claimed
US-20080132643-A1 Epoxidation of olefin/diene copolymers using hydrogen peroxide EXXONMOBIL CHEMICAL PATENTS INC. 2008-06-05 US claimed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US claimed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP claimed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US claimed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 WO claimed
EP-4704830-A2 MRGPRX2 INHIBITORS AND METHODS OF USE THEREOF Septerna, Inc. (US) 2026-03-11 EP disclosed
EP-3704094-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2026-03-11 EP disclosed
US-12384790-B2 Pteridinone compounds and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-08-12 US disclosed
US-20250122188-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2025-04-17 US disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO disclosed
US-5536443-A DUTERIUM CONTAINING COMPOUNDS FOOR ELECTROOPTICAL APPARATUS DAINIPPON INK & CHEMICALS, INC. (JP) 1996-07-16 US disclosed
WO-1995009828-A1 2,4,5-TRIFLUOROBENZENES AND THEIR USE IN LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 1995-04-13 WO disclosed
US-5081208-A Using a catalyst system comprising the reaction product of a tungsten compound and a halo- or trihalomethylphenol and a trihydrocarbyltin hydride; RIM; kinetics SHELL OIL COMPANY (US) 1992-01-14 US disclosed
EP-0336486-A2 Polymerization of norbornene derivatives and catalytic system suitable for use therein SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-10-11 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 (3 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-20250122188-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, DDIT3 CA9 4868/4885CA3 4874/4885CA6 4623/4885
US-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C CA9 4391/4885CA3 4457/4885CA6 4225/4885
US-12384790-B2 Pteridinone compounds and uses thereof DPYD, PKD1, TYMP CA9 2534/4885CA3 4861/4885CA6 3823/4885

“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.