SCHEMBL21391285

SCHEMBL21391285

CC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2C19 P33261 4/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2D6 P10635 2/20 0.52
ALDH1A1 P00352 2/20 0.52
PPARA Q07869 6/20 0.49
PPARG P37231 2/20 0.48
FABP2 P12104 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
MAPT P10636 4/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MDH1 P40925 1/20 0.47
MDH2 P40926 1/20 0.47
USP2 O75604 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45

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
SCHEMBL22221598 0.88 PPARA (0.58) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL22221444 0.86 PPARA (0.55) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL21391384 0.84 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL21389593 0.81 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL22221599 0.81 PPARA (0.58) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL22209018 0.81 PPARA (0.60) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL24696450 0.80 PPARA (0.56) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL21391369 0.80 CYP1A2 (0.62) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL22221595 0.78 PPARA (0.57) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6
SCHEMBL22208957 0.78 PPARA (0.54) CYP1A2CYP3A4CYP2C19CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647673-B2 Acetophenone compound, preparation method thereof, and application thereof in fatty liver prevention and treatment Nanjing Bioenergy Medicine Science & Technology Co., Ltd. (CN) 2020-05-12 US disclosed
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment Nanjing Bioenergy Medicine Science & Technology Co., Ltd. (CN) 2019-09-26 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 (2 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-10647673-B2 Acetophenone compound, preparation method thereof, and application thereof in fatty liver prevention and treatment LIPC, CYP27A1, HSD17B10 CYP1A2 167/4885CYP3A4 283/4885CYP2C19 339/4885
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment LIPC, CYP27A1, HSD17B10 CYP1A2 167/4885CYP3A4 283/4885CYP2C19 339/4885

“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.