SCHEMBL21391385

SCHEMBL21391385

Cc1ccc(NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.69
▸ TSHR P16473 3/20 0.68
▸ CYP2C9 P11712 2/20 0.68
▸ CYP2C8 P10632 2/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ TTR P02766 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CHRM1 P11229 1/20 0.68
▸ ADRA1A P35348 1/20 0.68
▸ PPARG P37231 1/20 0.68
▸ HTR2B P41595 1/20 0.68
▸ SLCO1B3 Q9NPD5 1/20 0.68
▸ CISD1 Q9NZ45 1/20 0.68
▸ SLCO1B1 Q9Y6L6 1/20 0.68
▸ NR1H4 Q96RI1 1/20 0.61
▸ MEN1 O00255 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ MAPT P10636 3/20 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
SCHEMBL10474998 0.94 NR1H4 (0.70) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL21389589 0.92 MEN1 (0.67) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10641653 0.92 PPARA (0.65) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10475029 0.90 PPARA (0.72) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10641221 0.90 PPARA (0.62) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10475117 0.90 PPARA (0.62) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10635224 0.89 PPARA (0.59) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10638251 0.89 PPARA (0.65) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10638423 0.88 PPARA (0.60) PPARATSHRCYP2C9CYP2C8SMN1; SMN2
SCHEMBL10943363 0.88 PPARA (0.67) PPARATSHRCYP2C9CYP2C8SMN1; SMN2

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 PPARA 14/4885TSHR 3696/4885CYP2C9 438/4885
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment LIPC, CYP27A1, HSD17B10 PPARA 14/4885TSHR 3696/4885CYP2C9 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.

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