SCHEMBL498377

SCHEMBL498377

FC(F)(F)COc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
MAPT P10636 4/20 0.56
GPR3 P46089 1/20 0.48
SCN5A Q14524 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP17A1 P05093 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
PAX8 Q06710 2/20 0.45
USP2 O75604 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
THRB P10828 1/20 0.44
G6PD P11413 1/20 0.44

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
SCHEMBL18380932 0.92 SCN5A (0.56) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL4800915 0.90 MAPT (0.53) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL1119471 0.88 ALDH1A1 (0.47) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL2037249 0.88 ALDH1A1 (0.47) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL2259946 0.88 CA12 (0.50) ALDH1A1MAPTCYP2C9CYP17A1CYP2C19
SCHEMBL1710060 0.88 NPC1 (0.47) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL7026279 0.88 ALDH1A1 (0.47) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL9682 0.88 MAPT (0.63) ALDH1A1MAPTGPR3SCN5ASMN1; SMN2
SCHEMBL9458453 0.88 APP (0.50) ALDH1A1MAPTGPR3SCN5ACYP2C9
SCHEMBL3271257 0.88 APP (0.47) ALDH1A1MAPTCYP2C9CYP17A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063292-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES. GRINDEKS A JOINT STOCK COMPANY (LV) 2010-03-11 US claimed
US-6586598-B2 Reacting 2,5-bis(2,2,2- trifluoroethoxy)- alpha , alpha -dibromo- alpha -chloro acetophenone with 2-(aminomethyl)pyridine to form 2,5-bis(2,2,2-trifluoroethoxy)-N-(2-pyridylmethyl)-benzamide, and reducing GENEVA PHARMACEUTICALS, INC. 2003-07-01 US claimed
US-20020188130-A1 Alpha, alpha-dibromo-alpha-chloro-acetophenones as synthons RAY ANUP K (US) 2002-12-12 US claimed
WO-2002066413-A1 FLECAINIDE SYNTHESIS NARCHEM CORPORATION (US) 2002-08-29 WO claimed
US-4684733-A Process for the preparation of intermediates of derivatives of pyrrolidine and piperidine RIKER LABORATORIES, INC. (US) 1987-08-04 US claimed
US-4675448-A Chlorination process ETHYL CORPORATION (US) 1987-06-23 US claimed
US-4650873-A Process for the preparation of a derivative of piperidine RIKER LABORATORIES (US) 1987-03-17 US claimed
US-4617396-A Process for the preparation of derivatives of piperidine RIKER LABORATORIES, INC. (US) 1986-10-14 US claimed
JP-1125341-A None JP disclosed
JP-1104044-A None JP disclosed
JP-1125342-A None JP disclosed
JP-1125339-A None JP disclosed
JP-1125344-A None JP disclosed
JP-1125343-A None JP disclosed
US-4650873-A Process for the preparation of a derivative of piperidine RIKER LABORATORIES (US) 1987-03-17 US disclosed
US-4642384-A Process for the preparation of derivatives of pyrrolidine and piperidine RIKER LABORATORIES, INC. (US) 1987-02-10 US disclosed
US-4617396-A Process for the preparation of derivatives of piperidine RIKER LABORATORIES, INC. (US) 1986-10-14 US disclosed
US-4491584-A ANTIARRHYTHMIA AGENTS RIKER LABORATORIES (US) 1985-01-01 US disclosed
US-4154941-A ANTIARRHYTHMIC AGENTS RIKER LABORATORIES, INC. (US) 1979-05-15 US disclosed
US-4071524-A Derivatives of urea RIKER LABORATORIES, INC. (US) 1978-01-31 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 (2 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-20020188130-A1 Alpha, alpha-dibromo-alpha-chloro-acetophenones as synthons CYP2D6, CYP2B6, CYP2A6 ALDH1A1 251/4885MAPT 3968/4885GPR3 3175/4885
US-20100063292-A1 PROCESS FOR THE PREPARATION OF TRIFLUOROETHOXYTOLUENES. CYP2C9, CYP3A4, CYP3A5 ALDH1A1 1392/4885MAPT 3131/4885GPR3 3922/4885

“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.