SCHEMBL1713657

SCHEMBL1713657

COc1cc(OC)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
CYP1A1 P04798 2/20 0.43
CYP1B1 Q16678 2/20 0.43
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
CXCR2 P25025 2/20 0.37
NQO2 P16083 2/20 0.37
HSD11B1 P28845 1/20 0.37
ESR1 P03372 2/20 0.36
ABL1 P00519 1/20 0.36
TTR P02766 1/20 0.36
CYP1A2 P05177 1/20 0.36
ABCB1 P08183 1/20 0.36
ALOX5 P09917 1/20 0.36
BCR P11274 1/20 0.36
CYP19A1 P11511 1/20 0.36
PTGS2 P35354 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 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
SCHEMBL509273 0.92 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL3386175 0.92 ALDH1A1 (0.41) ALDH1A1CYP1A1CYP1B1CXCR2NQO2
SCHEMBL7367391 0.91 ADORA2A (0.44) ALDH1A1CYP1A1CYP1B1AHR
SCHEMBL309328 0.89 ALDH1A1 (0.38) ALDH1A1CYP1A1CYP1B1CA1CA2
SCHEMBL926505 0.89 CA2 (0.41) CA1CA2CA9CXCR2HSD11B1
SCHEMBL4730537 0.88 CYP1A1 (0.47) ALDH1A1CYP1A1CYP1B1NQO2ESR1
SCHEMBL4174925 0.88 EPAS1 (0.39) ALDH1A1
SCHEMBL8262869 0.86 CYP1A1 (0.50) CYP1A1CYP1B1ABL1CYP1A2ABCB1
SCHEMBL730884 0.85 KDM4E (0.45) ALDH1A1CA1CA2CA9
SCHEMBL19859247 0.85 DRD2 (0.42) ALDH1A1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11500247-B2 Liquid crystal sensor PLATYPUS TECHNOLOGIES, LLC (US) 2022-11-15 US disclosed
US-20200409221-A1 LIQUID CRYSTAL SENSOR PLATYPUS TECHNOLOGIES, LLC 2020-12-31 US disclosed
CN-111393265-A Synthetic method of 3, 5-dihydroxypentylbenzene 安徽中羰碳一工业技术有限责任公司 2020-07-10 CN disclosed
EP-2931838-B1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2017-08-16 EP disclosed
EP-2931838-B1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2017-08-16 EP disclosed
US-9726933-B2 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-9726933-B2 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-20170212088-A1 DETECTION OF GAS-PHASE ANALYTES USING LIQUID CRYSTALS PLATYPUS TECHNOLOGIES, LLC 2017-07-27 US disclosed
US-9575037-B2 Detection of gas-phase analytes using liquid crystals PLATYPUS TECHNOLOGIES, LLC (US) 2017-02-21 US disclosed
US-20160274084-A1 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC 2016-09-22 US disclosed
WO-2010031047-A2 DETECTION OF VAPOR PHASE COMPOUNDS BY CHANGES IN PHYSICAL PROPERTIES OF A LIQUID CRYSTAL PLATYPUS TECHNOLOGIES, LLC (US) 2010-03-18 WO disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5656643-A QUINOLIN PYRIDINE DERIVATIVES; USEFUL FOR TREATING CANCER, LEKEMIA, PSORIASIS, INFLAMMATORY DISODERS, BONE DISORDERS, ATHEROSCLEROSIS AND RESTENOSIS; CONTROLLS CELLULAR REPRODUCTION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-08-12 US disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-5409930-A Inhibits abnoramal cell proliferation; dimethoxyquinoline/ dimethylquinoline/ quinolineoxide/ and quinoxaline derivatives RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1995-04-25 US disclosed
WO-1992020642-A1 BIS MONO-AND BICYCLIC ARYL AND HETEROARYL COMPOUNDS WHICH INHIBIT EGF AND/OR PDGF RECEPTOR TYROSINE KINASE RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-11-26 WO disclosed