SCHEMBL5149729

SCHEMBL5149729

FCCc1ccc(CCF)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 8/20 0.48
GFER P55789 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HTR2A P28223 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
BACE1 P56817 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
BLM P54132 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9552986 0.90 MAOB (0.52) TAAR1MAOBHRH3
SCHEMBL9553164 0.90 MAOB (0.52) TAAR1MAOBHRH3
SCHEMBL129246 0.87 TAAR1 (0.67) TAAR1L3MBTL1MAOBLOXL2
SCHEMBL14769301 0.87 LOXL2 (0.57) TAAR1GFERHRH3LOXL2
SCHEMBL4037603 0.85 TAAR1 (0.64) TAAR1CYP1A2CYP2A6ALDH1A1L3MBTL1
SCHEMBL11306666 0.85 ESR1 (0.68) TAAR1ESR1ESR2KDM4EALDH1A1
SCHEMBL10157930 0.85 TAAR1 (0.64) TAAR1HTR2ACYP1A2CYP2A6ALDH1A1
SCHEMBL5511632 0.85 GFER (0.68) TAAR1GFERHTR2ACYP1A2CYP2A6
SCHEMBL18087084 0.85 GFER (0.68) TAAR1GFERHTR2ACYP1A2CYP2A6
SCHEMBL13960536 0.85 TAAR1 (0.64) TAAR1CYP2A6HTR3AMAOB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 US disclosed
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2020-05-14 US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 US disclosed
US-10538509-B2 Decarboxylative cross-coupling and applications thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2020-01-21 US disclosed
EP-3126545-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF The Trustees of Princeton University (US) 2017-02-08 EP disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
US-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2017-01-26 US disclosed
WO-2015153381-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-08 WO disclosed
WO-2015153381-A2 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-10-08 WO disclosed
US-8288058-B2 Binder for fuel cell, composition for forming electrode, electrode, and fuel cell using the electrode MITSUI CHEMICALS, INC. (JP) 2012-10-16 US disclosed
EP-1788649-B1 BINDER FOR FUEL CELL, COMPOSITION FOR ELECTRODE FORMATION, ELECTRODE, AND FUEL CELL USING THE ELECTRODE MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-20070292733-A1 Binder for Fuel Cell, Composition for Forming Electrode, Electrode, and Fuel Cell Using the Electrode MITSUI CHEMICALS, INC. (JP) 2007-12-20 US disclosed
EP-1788649-A1 BINDER FOR FUEL CELL, COMPOSITION FOR ELECTRODE FORMATION, ELECTRODE, AND FUEL CELL USING THE ELECTRODE Mitsui Chemicals, Inc. (JP) 2007-05-23 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 (3 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-20170022185-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC TAAR1 3219/4885GFER 301/4885ESR1 948/4885
US-10538509-B2 Decarboxylative cross-coupling and applications thereof PPOX, DDC, DDO TAAR1 3614/4885GFER 389/4885ESR1 722/4885
US-20200148668-A1 DECARBOXYLATIVE CROSS-COUPLING AND APPLICATIONS THEREOF PPOX, DDO, DDC TAAR1 3219/4885GFER 301/4885ESR1 948/4885

“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.