SCHEMBL21391284

SCHEMBL21391284

CC(=O)c1ccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.60
▸ PPARA Q07869 3/20 0.58
▸ TSHR P16473 3/20 0.57
▸ CYP2C8 P10632 2/20 0.57
▸ CYP2C9 P11712 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ TTR P02766 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CHRM1 P11229 1/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ PPARG P37231 1/20 0.57
▸ HTR2B P41595 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ SLCO1B3 Q9NPD5 1/20 0.57
▸ CISD1 Q9NZ45 1/20 0.57
▸ SLCO1B1 Q9Y6L6 1/20 0.57
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ HTT P42858 3/20 0.44

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
SCHEMBL21389597 0.92 NR1H4 (0.60) NR1H4PPARATSHRCYP2C8CYP2C9
SCHEMBL21391360 0.87 PPARA (0.55) NR1H4PPARATSHRCYP2C8CYP2C9
SCHEMBL21389589 0.85 MEN1 (0.67) NR1H4PPARATSHRCYP2C8CYP2C9
SCHEMBL10473599 0.85 PPARA (0.67) NR1H4PPARATSHRCYP2C8CYP2C9
SCHEMBL21391370 0.83 PPARA (0.60) NR1H4PPARATSHRCYP2C8CYP2C9
SCHEMBL10473704 0.83 PPARA (0.65) NR1H4PPARATSHRCYP2C8CYP2C9
SCHEMBL10641341 0.82 PPARA (0.55) NR1H4PPARATSHRCYP2C8CYP2C9
SCHEMBL10641344 0.82 PPARA (0.55) NR1H4PPARATSHRCYP2C8CYP2C9
SCHEMBL10641355 0.80 PPARA (0.52) NR1H4PPARATSHRCYP2C8CYP2C9
SCHEMBL10641349 0.80 PPARA (0.52) NR1H4PPARATSHRCYP2C8CYP2C9

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 NR1H4 168/4885PPARA 14/4885TSHR 3696/4885
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment LIPC, CYP27A1, HSD17B10 NR1H4 168/4885PPARA 14/4885TSHR 3696/4885

“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.

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