SCHEMBL2032304

SCHEMBL2032304

CSc1ccc(C(=O)CCc2cc(C)c(OC(C)C(=O)O)c(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ PPARA Q07869 5/20 0.38
▸ PPARD Q03181 3/20 0.38
▸ HAO1 Q9UJM8 1/20 0.38
▸ PPARG P37231 4/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ABCB1 P08183 2/20 0.34

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
SCHEMBL2027258 0.81 PPARA (0.35) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL1933960 0.81 S1PR1 (0.45) NPC1RAB9APPARAPPARDHAO1
SCHEMBL1935077 0.81 PPARG (0.44) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL1934701 0.79 PPARA (0.59) PPARAPPARDPPARG
SCHEMBL3937950 0.79 HAO1 (0.42) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL1934452 0.77 PPARA (0.44) NPC1RAB9ATDP1PPARAPPARD
SCHEMBL3865193 0.72 NPC1 (0.64) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL15122376 0.70 TDP1 (0.55) RAB9ATDP1PPARAPPARDPPARG
SCHEMBL14989117 0.70 TDP1 (0.55) RAB9ATDP1PPARAPPARDPPARG
SCHEMBL14988796 0.70 TDP1 (0.55) RAB9ATDP1PPARAPPARDPPARG

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-8258182-B2 Substituted 1,3-diphenylpropane derivatives, preparations and uses thereof GENFIT (FR) 2012-09-04 — — US disclosed
US-20110136888-A1 Substituted 1,3-Diphenylpropane Derivatives, Preparations and Uses Thereof GENFIT (FR) 2011-06-09 — — 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-20110136888-A1 Substituted 1,3-Diphenylpropane Derivatives, Preparations and Uses Thereof DPP3, DPP4, CYP3A43 PDE4A 219/4885PDE4B 308/4885PDE4C 665/4885

“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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