SCHEMBL1009105

SCHEMBL1009105

Cc1ccc(F)c(O)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ERN1 O75460 1/20 0.37
ACHE P22303 1/20 0.36
PTGS1 P23219 4/20 0.33
PTGS2 P35354 4/20 0.33
TRPA1 O75762 1/20 0.33
CA3 P07451 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
HPGD P15428 1/20 0.33
MEP1A Q16819 1/20 0.33
MEP1B Q16820 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL15172767 0.83 ALDH1A1 (0.48) ALDH1A1ACHEPTGS1PTGS2TRPA1
SCHEMBL22133772 0.81 ALDH1A1 (0.46) ALDH1A1ERN1ACHEPTGS1PTGS2
SCHEMBL2659542 0.79 TRPA1 (0.44) ALDH1A1TRPA1CA6HPGDMAPT
SCHEMBL27396426 0.79 TRPA1 (0.39) ALDH1A1ERN1ACHEPTGS1PTGS2
SCHEMBL12463870 0.79 ALDH1A1 (0.43) ALDH1A1ERN1ACHEPTGS1PTGS2
SCHEMBL78147 0.77 ERN1 (0.42) ERN1CA3CA6CA5ACA9
SCHEMBL30368289 0.77 ERN1 (0.42) ERN1CA3CA6CA5ACA9
SCHEMBL24726549 0.75 ALDH1A1 (0.38) ALDH1A1HPGDMAPTTSHRHSD17B10
SCHEMBL736924 0.75 CYP3A4 (0.38) ALDH1A1ERN1ACHEPTGS1PTGS2
SCHEMBL31200710 0.75 TTR (0.35) ALDH1A1ERN1ACHEPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242492-A1 THYROMIMETICS AUTOBAHN THERAPEUTICS, INC. 2023-08-03 US disclosed
EP-4180431-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-05-17 EP disclosed
EP-3692040-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-12-28 EP disclosed
EP-4001336-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE Shin-Etsu Chemical Co., Ltd. (JP) 2022-05-25 EP disclosed
US-11337968-B2 Phenylquinoline compositions for treatment of ocular disorders and conditions THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2022-05-24 US disclosed
US-20220144834-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-05-12 US disclosed
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 US disclosed
US-10479780-B2 Aminopyrazole derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2019-11-19 US disclosed
WO-2019069293-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-11 WO disclosed
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ARVINAS OPERATIONS, INC. 2018-06-07 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127544-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 WO disclosed
WO-2008098674-A2 PHENOXYMETHYL IMIDAZOLINE DERIVATIVES AND THEIR USE AS PESTICIDES SYGENTA PARTICIPATIONS AG (CH) 2008-08-21 WO disclosed
EP-1958508-A1 Phenoxymethyl imidazoline derivatives and their use as pesticides Syngeta Participations AG (CH) 2008-08-20 EP disclosed
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors ACTELION PHARMACEUTICALS, LTD. (CH) 2006-01-12 US disclosed
EP-1519920-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2005-04-06 EP disclosed
WO-2004002957-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-01-08 WO disclosed
US-4069340-A ARYLOXY DIMETHYL IMMONIUM CHLORIDES FROM DIMETHYL FORMAMIDE AND CORRESPONDING ARYL CHLOROFORMATES HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1978-01-17 US disclosed
US-3983178-A Immonium salts and derivatives thereof HOOKER CHEMICALS & PLASTICS CORPORATION (US) 1976-09-28 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 (8 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-10479780-B2 Aminopyrazole derivatives SRC, GRK2, GRK3 ALDH1A1 1534/4885ERN1 2736/4885ACHE 4458/4885
US-20230242492-A1 THYROMIMETICS TPO, TSHR, THOP1 ALDH1A1 1440/4885ERN1 2506/4885ACHE 17/4885
US-11337968-B2 Phenylquinoline compositions for treatment of ocular disorders and conditions PPARG, PPARA, PPARD ALDH1A1 1092/4885ERN1 3112/4885ACHE 4726/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885ERN1 2036/4885ACHE 1134/4885
US-20220144834-A1 Chemical Compounds HAVCR2, HBS1L, HLA-B ALDH1A1 1741/4885ERN1 624/4885ACHE 3976/4885
US-20180155322-A1 TETRAHYDRONAPHTHALENE AND TETRAHYDROISOQUINOLINE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS MDM2, CRBN, VHL ALDH1A1 2301/4885ERN1 2480/4885ACHE 3453/4885
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL ALDH1A1 2301/4885ERN1 2480/4885ACHE 3453/4885
US-20060009497-A1 Novel tetrahydropyridine derivatives as renin inhibitors REN, ACE, ACE2 ALDH1A1 2056/4885ERN1 3097/4885ACHE 112/4885

“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.