SCHEMBL7203410

SCHEMBL7203410

C#CC(O)c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.43
ACHE P22303 3/20 0.42
EPHX1 P07099 1/20 0.39
AOC3 Q16853 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAPK1 P28482 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
HSD17B2 P37059 1/20 0.35
PARP1 P09874 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
CYP26A1 O43174 1/20 0.34

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
SCHEMBL9176673 0.80 TSHR (0.57) ACP3ACHEEPHX1AOC3ALDH1A1
SCHEMBL2164106 0.80 TSHR (0.57) ACP3ACHEEPHX1AOC3ALDH1A1
SCHEMBL17382854 0.79 ALDH1A1 (0.36) ALDH1A1
SCHEMBL6966592 0.78 ADRB1 (0.48) ALDH1A1GAAOPRK1HSD17B2
SCHEMBL27516064 0.78 CYP3A4 (0.44) ALDH1A1TDP1SLC6A2SLC6A4
SCHEMBL6035448 0.76 ACHE (0.52) ACP3ACHEEPHX1AOC3ALDH1A1
SCHEMBL822105 0.76 ACHE (0.52) ACP3ACHEEPHX1AOC3ALDH1A1
SCHEMBL11606507 0.76 ACHE (0.52) ACP3ACHEEPHX1AOC3ALDH1A1
SCHEMBL10837272 0.76 CES2 (0.47) ACHEEPHX1AOC3SLC6A2SLC6A4
SCHEMBL31135320 0.76 IDO1 (0.41) ALDH1A1MAPK1PARP1SLC6A2SLC6A4

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
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
US-6605730-B2 3-(2-Thienyl)-5-phenyl-1H-pyrazole compounds of given formula NIHON BAYER AGROCHEM K.K. (JP) 2003-08-12 US disclosed
US-20030028034-A1 Nematicidal pyrazoles WADA KATSUAKI (JP) 2003-02-06 US disclosed
US-6310049-B1 3-(2-THIENYL),5-(SUBSTITUTED PHENYL)-1H-PYRAZOLES AND 3-(SUBSTITUTED PHENYL),5-(2-THIENYL)-1H-PYRAZOLES OF GIVEN FORMULA; ANTHELMINTICS NIHON BAYER AGROCHEM K.K. (JP) 2001-10-30 US disclosed
EP-1104418-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2001-06-06 EP disclosed
WO-2000009500-A2 NEMATICIDAL PYRAZOLES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-24 WO disclosed
US-4568749-A Certain 5-aryl-2-[(4-aryl)-4-hydroxybutyn-2-yl]-1,2,3,4-γ-carbolines PFIZER INC. (US) 1986-02-04 US disclosed
US-4510308-A Process for preparing carboline derivatives PFIZER INC. (US) 1985-04-09 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 (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 ACP3 116/4885ACHE 1414/4885EPHX1 1178/4885
US-20190092771-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A ACP3 116/4885ACHE 1414/4885EPHX1 1178/4885
US-20180105521-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A ACP3 116/4885ACHE 1414/4885EPHX1 1178/4885
US-20160194315-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A ACP3 116/4885ACHE 1414/4885EPHX1 1178/4885
US-10174026-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A ACP3 116/4885ACHE 1414/4885EPHX1 1178/4885
US-20030028034-A1 Nematicidal pyrazoles CBR3, CBR1, CCR4 ACP3 4172/4885ACHE 1338/4885EPHX1 1883/4885

“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.