SCHEMBL1710060

SCHEMBL1710060

Cc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 2/20 0.45
CYP17A1 P05093 1/20 0.45
CYP2C19 P33261 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
DRD3 P35462 2/20 0.44
WDR5 P61964 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
PAX8 Q06710 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MGAT2 Q10469 1/20 0.42
ACHE P22303 1/20 0.42
GPR3 P46089 1/20 0.42

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
SCHEMBL14108152 0.89 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
Acetaldehyde SCHEMBL27973957 0.89 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9070633 0.89 MEN1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL498377 0.88 ALDH1A1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7791287 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL8583206 0.84 SCN5A (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL7791292 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL19337433 0.83 DRD2 (0.41) MAPTDRD2DRD4DRD3WDR5
SCHEMBL10178017 0.83 DRD2 (0.41) MAPTDRD2DRD4DRD3WDR5
SCHEMBL2259946 0.82 CA12 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079674-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES Grindeks, a joint stock company (LV) 2009-07-22 EP claimed
EP-2079692-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYLMETHYL)-BENZAMIDE AND SALTS THEREOF Grindeks, a joint stock company (LV) 2009-07-22 EP claimed
WO-2008055849-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES GRINDEKS, A JOINT STOCK COMPANY (LV) 2008-05-15 WO claimed
WO-2008055851-A1 PROCESS FOR THE PREPARATION OF 2,5-BIS-(2,2,2-TRIFLUOROETHOXY)-N-(2-PIPERIDYLMETHYL)-BENZAMIDE AND SALTS THEREOF GRINDEKS, A JOINT STOCK COMPANY (LV) 2008-05-15 WO claimed
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-11693310-B2 Blue curable resin composition, blue color filter, and display device including same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
US-11693310-B2 Blue curable resin composition, blue color filter, and display device including same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
US-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF ORION CORP (FI) 2023-01-26 US disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-11-16 US disclosed
EP-3865475-A1 PROCESS FOR PREPARING PYRIDONE AMIDES WHICH ARE MODULATORS OF SODIUM CHANNELS AND INTERMEDIATE COMPOUNDS USED THEREIN Vertex Pharmaceuticals Incorporated (US) 2021-08-18 EP disclosed
WO-2021131834-A1 COLORED RESIN COMPOSITION 住友化学株式会社 2021-07-01 WO disclosed
US-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 US disclosed
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-05-10 US disclosed
US-7202260-B2 VEGFR-2 and VEGFR-3 inhibitory anthranilamide pyridones SCHERING AG (DE) 2007-04-10 US disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
US-6071927-A Spiro-piperidine derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2000-06-06 US disclosed
EP-0906315-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 WO 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 (5 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-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F NPC1 1238/4885RAB9A 3208/4885SMN1; SMN2 2050/4885
US-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 NPC1 1846/4885RAB9A 1737/4885SMN1; SMN2 3709/4885
US-11173145-B2 Compounds useful as inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan dioxygenase TPH2, TPH1, IDO2 NPC1 2403/4885RAB9A 2473/4885SMN1; SMN2 4645/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F NPC1 1238/4885RAB9A 3208/4885SMN1; SMN2 2050/4885
US-20070105930-A1 Cyclic guanidines, compositions containing such compounds and methods of use GCGR, GLP1R, GCG NPC1 2228/4885RAB9A 2887/4885SMN1; SMN2 2609/4885

“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.