SCHEMBL17040562

SCHEMBL17040562

Cc1cc2cc(Cl)cc(C(C)C)c2o1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
FFAR4 Q5NUL3 1/20 0.39
CYP3A4 P08684 2/20 0.33
MAOA P21397 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK1 P28482 1/20 0.33
ADORA2A P29274 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER3 P43115 1/20 0.33
MAOB P27338 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
GLA P06280 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL12248248 0.79 GABRA1 (0.38) GABRA1CYP3A4MAOAKDM4EALDH1A1
SCHEMBL2293882 0.76 GPR35 (0.47) FFAR4CYP3A4MAOAKDM4EALDH1A1
SCHEMBL13799427 0.76 AHR (0.42) FFAR4CYP3A4MAOAKDM4EALDH1A1
SCHEMBL23809216 0.75 PIM1 (0.42) GABRA1GABRB1MAOAALDH1A1PTGER1
SCHEMBL18751310 0.74 GABRA1 (0.37) GABRA1GABRB1ALDH1A1
SCHEMBL15724663 0.73 MAOB (0.53) FFAR4CYP3A4MAOAKDM4EALDH1A1
SCHEMBL14377703 0.72 MAOA (0.42) GABRA1GABRB1CYP3A4MAOAALDH1A1
SCHEMBL20561923 0.70 KDM4E (0.39) FFAR4CYP3A4MAOAKDM4EALDH1A1
SCHEMBL2428820 0.70 FFAR4 (0.36) FFAR4CYP3A4MAOAKDM4EALDH1A1
SCHEMBL12071472 0.69 FFAR4 (0.38) FFAR4CYP3A4MAOAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
US-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-04-20 US disclosed
WO-2015125785-A1 PYRAZOLONE DERIVATIVE HAVING MULTIPLE SUBSTITUENTS 第一三共株式会社 2015-08-27 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 (1 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-20170107207-A1 AMINOPYRAZOLONE DERIVATIVE ATAD5, ATP1A1, TIPRL GABRA1 2708/4885GABRB1 2996/4885FFAR4 3786/4885

“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.