SCHEMBL21391290

SCHEMBL21391290

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.59
▸ TSHR P16473 3/20 0.59
▸ CYP2C8 P10632 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ TDP1 Q9NUW8 2/20 0.59
▸ TTR P02766 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CHRM1 P11229 1/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ PPARG P37231 1/20 0.59
▸ HTR2B P41595 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ SLCO1B3 Q9NPD5 1/20 0.59
▸ CISD1 Q9NZ45 1/20 0.59
▸ SLCO1B1 Q9Y6L6 1/20 0.59
▸ NR1H4 Q96RI1 1/20 0.54
▸ RAB9A P51151 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HTT P42858 3/20 0.41

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
SCHEMBL21391360 0.85 PPARA (0.55) PPARATSHRCYP2C8CYP2C9TDP1
SCHEMBL21391287 0.83 PPARA (0.54) PPARATSHRCYP2C8CYP2C9TDP1
SCHEMBL21389597 0.81 NR1H4 (0.60) PPARATSHRCYP2C8CYP2C9TDP1
SCHEMBL21413775 0.79 PPARA (0.70) PPARATSHRCYP2C8CYP2C9TDP1
SCHEMBL21391284 0.79 NR1H4 (0.60) PPARATSHRCYP2C8CYP2C9TDP1
SCHEMBL21118396 0.79 MEN1 (0.65) PPARATSHRCYP2C8CYP2C9TDP1
SCHEMBL8912551 0.78 PPARA (0.75) PPARATSHRCYP2C8CYP2C9TDP1
SCHEMBL12690944 0.78 PPARA (0.79) PPARATSHRCYP2C8CYP2C9TDP1
SCHEMBL21389589 0.76 MEN1 (0.67) PPARATSHRCYP2C8CYP2C9TDP1
SCHEMBL18069509 0.75 PPARA (0.75) PPARATSHRCYP2C8CYP2C9TDP1

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 3696/4885CYP2C8 405/4885
US-20190292153-A1 Acetophenone Compound, Preparation Method Thereof, And Application Thereof In Fatty Liver Prevention And Treatment LIPC, CYP27A1, HSD17B10 PPARA 14/4885TSHR 3696/4885CYP2C8 405/4885

“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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