SCHEMBL21391369

SCHEMBL21391369

CC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.61
ALDH1A1 P00352 4/20 0.57
MDH1 P40925 2/20 0.57
MDH2 P40926 2/20 0.57
KMT2A Q03164 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.53
PPARA Q07869 2/20 0.51
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL21389593 0.85 CYP1A2 (0.69) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL22221480 0.83 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL28577219 0.82 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL29768387 0.82 CYP1A2 (0.58) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL2610067 0.82 CYP1A2 (0.81) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL21391273 0.81 SMN1; SMN2 (0.51) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL22221475 0.81 PPARA (0.67) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL22221585 0.80 CNR2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL21391285 0.80 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6
SCHEMBL22221597 0.78 PPARA (0.57) CYP1A2CYP3A4CYP2C9CYP2C19CYP2D6

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-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 (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-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment LIPC, CYP27A1, HSD17B10 CYP1A2 167/4885CYP3A4 283/4885CYP2C9 438/4885

“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.