SCHEMBL790207

SCHEMBL790207

FC(F)(F)c1ccc([CH]Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
IDO1 P14902 4/20 0.45
HIF1A Q16665 1/20 0.42
EPAS1 Q99814 1/20 0.42
CYP1A2 P05177 1/20 0.42
AHR P35869 1/20 0.41
PTGS1 P23219 1/20 0.41
MAOB P27338 1/20 0.41
FBP1 P09467 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NQO2 P16083 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
KIF11 P52732 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
SCHEMBL28757558 0.90 ALDH1A1 (0.48) TAAR1IDO1MAOBALDH1A1KIF11
SCHEMBL4811925 0.90 ALDH1A1 (0.48) MAOBALDH1A1KIF11
SCHEMBL3590959 0.88 TAAR1 (0.44) TAAR1IDO1HIF1AEPAS1AHR
SCHEMBL6767276 0.83 PTGS1 (0.40) TAAR1IDO1HIF1AEPAS1CYP1A2
SCHEMBL5323954 0.81 TAAR1 (0.50) TAAR1IDO1MAOBKDM4EALDH1A1
SCHEMBL1992348 0.77 PTGS1 (0.46) CYP1A2AHRPTGS1MAOBFBP1
SCHEMBL624798 0.77 TAAR1 (0.50) TAAR1IDO1CYP1A2MAOBKDM4E
SCHEMBL27932513 0.77 SRD5A2 (0.51) TAAR1IDO1HIF1AEPAS1CYP1A2
SCHEMBL27769602 0.76 TAAR1 (0.46) TAAR1IDO1CYP1A2MAOB
SCHEMBL27769718 0.76 KCNH2 (0.48) TAAR1HIF1AEPAS1AHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES 2023-04-27 US disclosed
EP-4103186-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS Salk Institute for Biological Studies (US) 2022-12-21 EP disclosed
WO-2021163633-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-08-19 WO disclosed
US-10273243-B2 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-30 US disclosed
EP-3452441-A1 ALPHA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF The Research Foundation for The State University of New York (US) 2019-03-13 EP disclosed
US-9944644-B2 Octahydropyrrolopyrroles their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-17 US disclosed
US-9938291-B2 N-alkyl-2-phenoxyethanamines, their preparation and use THE TRUSTESS OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-04-10 US disclosed
US-9872919-B2 Prodrugs for selective anticancer therapy THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-01-23 US disclosed
WO-2017201382-A1 PURINE NUCLEOTIDE DERIVATIVES THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-11-23 WO disclosed
WO-2017190034-A1 AZASTEROIDS FOR TREATMENT OF TUBERCULOSIS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-11-02 WO disclosed
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 US disclosed
US-20150224208-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-08-13 US disclosed
US-20150183715-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-07-02 US disclosed
US-20150150834-A1 POLYENOLIC ZINC-BINDING AGENTS (PEZBINS) ACTIVELY PROMOTE INACTIVATION OF CANCER STEM CELLS AND POTENTIATE CYTOTOXIC ANTI-TUMOR DRUG SUBSTANCES CHEM-MASTER INTERNATIONAL, INC. (US) 2015-06-04 US disclosed
US-20150073053-A1 TREATMENT OF DRUG RESISTANT CANCER ROCKEFELLER UNIVERSITY (THE) (US) 2015-03-12 US disclosed
US-20150073021-A1 CHEMICALLY MODIFIED CURCUMINS AS INHIBITORS OF ANTHRAX LETHAL FACTOR THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-03-12 US disclosed
US-20140121185-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE TREATMENT AND PREVENTION OF CANCER AND PRECANCEROUS CONDITIONS, INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER MEDICON PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-20130225529-A1 PHOSPHO-ESTER DERIVATIVES AND USES THEREOF MEDICON PHARMACEUTICALS, INC. 2013-08-29 US disclosed
US-20120095051-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES CHEM-MASTER INTERNATIONAL, INC. 2012-04-19 US disclosed
WO-2010132815-A9 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2011-01-13 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 (11 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-10273243-B2 4-phenylpiperidines, their preparation and use HTR3C, HRH4, CYP4F3 TAAR1 409/4885IDO1 649/4885HIF1A 4306/4885
US-20150073021-A1 CHEMICALLY MODIFIED CURCUMINS AS INHIBITORS OF ANTHRAX LETHAL FACTOR ANTXR2, APAF1, LITAF TAAR1 3688/4885IDO1 2253/4885HIF1A 579/4885
US-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 TAAR1 361/4885IDO1 3913/4885HIF1A 2805/4885
US-20120095051-A1 CURCUMIN ANALOGUES AS ZINC CHELATORS AND THEIR USES NFKBIA, NFKB1, NFKB2 TAAR1 3371/4885IDO1 499/4885HIF1A 461/4885
US-20230130766-A1 MONO AND COMBINATION THERAPIES WITH ULK1/2 INHIBITORS ULK1, ULK2, ULK3 TAAR1 4486/4885IDO1 2655/4885HIF1A 1470/4885
US-20150224208-A1 NOVEL PRODRUGS FOR SELECTIVE ANTICANCER THERAPY NR4A3, ORC3, NTSR1 TAAR1 364/4885IDO1 2204/4885HIF1A 3591/4885
US-20150150834-A1 POLYENOLIC ZINC-BINDING AGENTS (PEZBINS) ACTIVELY PROMOTE INACTIVATION OF CANCER STEM CELLS AND POTENTIATE CYTOTOXIC ANTI-TUMOR DRUG SUBSTANCES BAZ2B, CEBPZ, BAZ2A TAAR1 4781/4885IDO1 4520/4885HIF1A 1409/4885
US-20130225529-A1 PHOSPHO-ESTER DERIVATIVES AND USES THEREOF PHOSPHO1, PIK3CA, PYGB TAAR1 4164/4885IDO1 4784/4885HIF1A 477/4885
US-20150073053-A1 TREATMENT OF DRUG RESISTANT CANCER ABCC1, TSG101, NTPCR TAAR1 3895/4885IDO1 3201/4885HIF1A 1560/4885
US-20150183715-A1 ALPHA- AND GAMMA-TRUXILLIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FABP1, FABP2, FABP7 TAAR1 1550/4885IDO1 4305/4885HIF1A 3064/4885
US-20140121185-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN THE TREATMENT AND PREVENTION OF CANCER AND PRECANCEROUS CONDITIONS, INFLAMMATION-RELATED DISORDERS, PAIN AND FEVER PTGES, PTGES2, HSF1 TAAR1 3548/4885IDO1 3769/4885HIF1A 141/4885

“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.