SCHEMBL3219286

SCHEMBL3219286

C#CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.55
TAAR1 Q96RJ0 1/20 0.48
IDO1 P14902 4/20 0.47
MAOB P27338 4/20 0.45
MIF P14174 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
KIF11 P52732 2/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39
SRD5A2 P31213 1/20 0.38

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
SCHEMBL6140813 0.78 TAAR1 (0.55) PYCR1TAAR1IDO1MAOBMIF
SCHEMBL1086542 0.77 TSHR (0.42) PYCR1KIF11TSHR
SCHEMBL3633317 0.77 MIF (0.53) PYCR1TAAR1IDO1MAOBMIF
SCHEMBL5539099 0.77 TAAR1 (0.48) PYCR1TAAR1IDO1MAOBMIF
SCHEMBL246959 0.77 TAAR1 (0.48) PYCR1TAAR1IDO1MAOBMIF
SCHEMBL3246600 0.77 TAAR1 (0.54) PYCR1TAAR1IDO1MAOBMIF
SCHEMBL3208460 0.75 TAAR1 (0.55) TAAR1IDO1MAOBMIFALDH1A1
SCHEMBL23796962 0.74 PYCR1 (0.47) PYCR1TAAR1IDO1MAOBMIF
SCHEMBL19690421 0.74 PYCR1 (0.59) PYCR1TAAR1IDO1MAOBALDH1A1
SCHEMBL28039087 0.74 IDO1 (0.53) PYCR1TAAR1IDO1MAOBMIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626043-B1 Heterocyclic thioesters MGI GP INC (US) 2007-12-12 EP claimed
EP-1083873-B1 HETEROCYCLIC THIOESTER AND KETONE HAIR GROWTH COMPOSITIONS AND USES MGI GP INC (US) 2006-08-09 EP claimed
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-28 US disclosed
US-10174026-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-01-08 US disclosed
EP-2968282-B1 HISTONE DEMENTHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2018-05-09 EP disclosed
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-04-19 US disclosed
US-9873697-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2018-01-23 US disclosed
US-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2017-11-02 US disclosed
US-9738637-B2 Histone demethylase inhibitors Celgene Quantical Research, Inc. (US) 2017-08-22 US disclosed
US-20160194315-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-07-07 US disclosed
CN-105461589-A Acylamino-substituted fused cyclopentanecarboxylic acid derivatives and their use as pharmaceuticals SANOFI AVENTIS 2016-04-06 CN disclosed
CN-105418450-A ACYLAMINO-SUBSTITUTED FUSED CYCLOPENTANECARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS 2016-03-23 CN disclosed
US-20100069244-A1 Pyridine Compounds for Combating Pests BASF SE (DE) 2010-03-18 US disclosed
EP-1517881-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES Syngenta Participations AG (CH) 2005-03-30 EP disclosed
WO-2004002943-A1 4-(3,3-DIHALO-ALLYLOXY)PHENOXY ALKYL DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-01-08 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 (6 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-20170313702-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A PYCR1 609/4885TAAR1 4275/4885IDO1 371/4885
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A PYCR1 609/4885TAAR1 4275/4885IDO1 371/4885
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A PYCR1 609/4885TAAR1 4275/4885IDO1 371/4885
US-20160194315-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A PYCR1 609/4885TAAR1 4275/4885IDO1 371/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A PYCR1 609/4885TAAR1 4275/4885IDO1 371/4885
US-20100069244-A1 Pyridine Compounds for Combating Pests CHRM1, PRDX1, CHRM2 PYCR1 30/4885TAAR1 52/4885IDO1 34/4885

“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.