SCHEMBL3685481

SCHEMBL3685481

CC(Cc1ccc(OC(C)(C)C(=O)O)cc1)NC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.61
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
PPARG P37231 6/20 0.54
PPARA Q07869 4/20 0.52
CNR1 P21554 5/20 0.52
CNR2 P34972 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 1/20 0.50
FABP2 P12104 1/20 0.50
PPARD Q03181 1/20 0.50
ADRB3 P13945 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
SCHEMBL5321440 0.85 POLB (0.54) ACACBPPARGPPARACNR1CNR2
SCHEMBL25890576 0.83 ACACB (0.67) ACACBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL14399160 0.81 PPARG (0.43) ACACBPPARGPPARACNR1CNR2
SCHEMBL14398214 0.81 MEN1 (0.49) NPC1RAB9APPARGPPARACNR1
SCHEMBL880676 0.81 RAB9A (0.79) ACACBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL11949543 0.81 RAB9A (0.79) ACACBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL5322668 0.81 CNR1 (0.46) ACACBPPARGPPARACNR1CNR2
SCHEMBL5321265 0.81 PPARA (0.44) ACACBPPARGPPARACNR1CNR2
SCHEMBL14397275 0.79 NR1H4 (0.49) ACACBPPARGPPARACNR1CNR2
SCHEMBL5326505 0.79 NR1H4 (0.49) ACACBPPARGPPARACNR1CNR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 US claimed
US-7795310-B2 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2010-09-14 US disclosed
EP-1781303-A4 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX INC (US) 2008-07-02 EP disclosed
EP-1781303-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS CombinatoRx, Incorporated (US) 2007-05-09 EP disclosed
US-20060069161-A1 Methods and reagents for the treatment of metabolic disorders COMBINATORX, INC. (US) 2006-03-30 US disclosed
WO-2006004803-A1 METHODS AND REAGENTS FOR THE TREATMENT OF METABOLIC DISORDERS COMBINATORX, INCORPORATED (US) 2006-01-12 WO 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-20060069161-A1 Methods and reagents for the treatment of metabolic disorders LIPC, PNLIP, GOT2 ACACB 36/4885NPC1 369/4885RAB9A 2690/4885

“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.