SCHEMBL8985702

SCHEMBL8985702

Cc1ccc(C(F)(F)F)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.49
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
ESR1 P03372 4/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.43
TRPA1 O75762 1/20 0.43
PTGS1 P23219 1/20 0.43
CACNA1C Q13936 1/20 0.43
AR P10275 1/20 0.42
ESR2 Q92731 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KIF11 P52732 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL29426946 1.00 HSD17B2 (0.49) HSD17B2TSHRCASP1ESR1MEN1
Cyanate SCHEMBL29116701 0.90 HSD17B2 (0.43) HSD17B2TSHRCASP1ESR1MEN1
SCHEMBL15171112 0.84 ESR1 (0.48) HSD17B2TSHRCASP1ESR1MEN1
Methacrylic Acid SCHEMBL29724200 0.84 HSD17B2 (0.46) HSD17B2MEN1KMT2ATAS2R14ALDH1A1
SCHEMBL172788 0.84 ESR1 (0.64) ESR1MEN1KMT2AARESR2
SCHEMBL13303116 0.83 ESR1 (0.50) HSD17B2TSHRCASP1ESR1ACHE
Hydrochloric Acid SCHEMBL27419116 0.82 ESR1 (0.61) ESR1MEN1KMT2AARESR2
SCHEMBL22000814 0.81 ESR1 (0.45) HSD17B2TSHRCASP1ESR1MEN1
SCHEMBL1755260 0.80 PDE2A (0.46) TSHRTAS2R14ALDH1A1KIF11MAPT
SCHEMBL674323 0.79 ALDH1A1 (0.67) TSHRCASP1ESR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 EP claimed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 WO claimed
JP-8217863-A None JP disclosed
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2025-08-28 US disclosed
EP-4562009-A1 NOVEL COMPOUNDS AC Immune SA (CH) 2025-06-04 EP disclosed
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-12139471-B2 NLRP3 inflammasome inhibitors NOVARTIS AG (CH) 2024-11-12 US disclosed
EP-4217062-B1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-10-09 EP disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240101563-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2024-03-28 US disclosed
WO-2024023266-A1 NOVEL COMPOUNDS AC IMMUNE SA (CH) 2024-02-01 WO disclosed
US-9023584-B2 Radiation-sensitive composition, and compound JSR CORPORATION (JP) 2015-05-05 US disclosed
WO-2015035032-A1 BICYLIC COMPOUNDS AS MODULATORS OF RORGAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-12 WO disclosed
US-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS AMGEN INC. 2015-02-26 US disclosed
US-20130280658-A1 RADIATION-SENSITIVE COMPOSITION, AND COMPOUND JSR CORPORATION (JP) 2013-10-24 US disclosed
EP-2460799-A1 NEW TRIAZINE DERIVATIVE, ULTRAVIOLET ABSORBER, AND RESIN COMPOSITION FUJIFILM Corporation (JP) 2012-06-06 EP disclosed
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2004653-B1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-30 EP disclosed
JP-H08217863-A POLYARYLATE AND ELECTROPHOTOGRAPHIC SENSITIVE MATERIAL PRODUCED BY USING THE POLYARYLATE UNITIKA LTD 1996-08-27 JP disclosed
EP-0491326-A2 Process for the functionalization of trifluoromethylbenzenes ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1992-06-24 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 (6 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-20150057271-A1 DIHYDROBENZOXAZINE AND TETRAHYDROQUINOXALINE SODIUM CHANNEL INHIBITORS SCN5A, KCNH1, KCNQ5 HSD17B2 2653/4885TSHR 4670/4885CASP1 1755/4885
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 HSD17B2 1014/4885TSHR 1731/4885CASP1 749/4885
US-20240101563-A1 NOVEL COMPOUNDS NLRP3, NOD1, NLRP1 HSD17B2 934/4885TSHR 3748/4885CASP1 10/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP HSD17B2 219/4885TSHR 1023/4885CASP1 3346/4885
US-12139471-B2 NLRP3 inflammasome inhibitors NLRP3, NLRP1, NOD1 HSD17B2 2395/4885TSHR 2465/4885CASP1 7/4885
US-20250270188-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 HSD17B2 2395/4885TSHR 2465/4885CASP1 7/4885

“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.