SCHEMBL4318779

SCHEMBL4318779

CC(=O)C(Cc1ccc(Cl)cc1)c1ccccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
ACACB O00763 2/20 0.39
CTSC P53634 1/20 0.39
CNR1 P21554 5/20 0.39
CNR2 P34972 4/20 0.39
CRHR1 P34998 1/20 0.39
ACP3 P15309 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
CCR1 P32246 1/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP8 Q6V1X1 1/20 0.36

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
SCHEMBL5145088 0.81 ESR1 (0.45) ESR1ESR2KDM4EALDH1A1ACACB
SCHEMBL3371208 0.75 ESR1 (0.60) ESR1ESR2CNR1CNR2PPARG
SCHEMBL6195768 0.74 ALDH1A1 (0.37) ALDH1A1GAAL3MBTL1
SCHEMBL3578785 0.74 CNR1 (0.57) CNR1CNR2
SCHEMBL8622410 0.70 ESR1 (0.58) ESR1ESR2PPARGPPARA
SCHEMBL6198953 0.70 ALDH1A1 (0.39) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL3373228 0.69 KMT2A (0.45) ESR1ESR2KDM4EALDH1A1GAA
SCHEMBL8312930 0.69 MME (0.54) ESR2CNR2DPP8PPARG
SCHEMBL3369739 0.69 KDM4E (0.39) ESR1ESR2KDM4EACACBACP3
SCHEMBL5700710 0.69 L3MBTL1 (0.42) KDM4EALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity MERCK & CO., INC. (US) 2009-12-10 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 (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-20090306037-A1 Combination of a Dipeptidyl Peptidase-IV Inhibitor and a Cannabinoid CB1 Receptor Antagonist for the Treatment of Diabetes and Obesity DPP4, DPP3, DPP7 ESR1 1928/4885ESR2 2330/4885KDM4E 650/4885

“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.