SCHEMBL5737876

SCHEMBL5737876

COC(=O)C(C)(C)Oc1cccc(-c2cccc(O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.45
HSD17B1 P14061 6/20 0.42
HSD17B2 P37059 6/20 0.42
CYP2C9 P11712 2/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2B6 P20813 1/20 0.40
MAP4K4 O95819 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL4607275 0.92 CYP3A4 (0.51) CYP3A4ESR1ESR2CYP1A2PPARG
SCHEMBL3432285 0.83 CHRNB2 (0.49) CYP3A4PPARA
SCHEMBL6310133 0.81 MRGPRX4 (0.54) HDAC4PPARGPPARA
SCHEMBL4028110 0.81 CYP11B2 (0.51) CYP3A4CYP2C9CYP1A2CYP2C19ABL1
SCHEMBL13069642 0.80 CES2 (0.49) MEN1NPC1TP53MAPTSTAT1
SCHEMBL14122304 0.78 LMNA (0.50) CYP3A4PPARGPPARANPC1ALDH1A1
SCHEMBL2916587 0.77 CYP1A2 (0.49) CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL5738818 0.77 TP53BP1 (0.43) PPARGPPARAMEN1NPC1TP53
SCHEMBL5738115 0.77 MAOB (0.58) PPARGPPARA
SCHEMBL3845579 0.76 PPARG (0.56) CYP3A4CYP2C9ESR1ESR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615899-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACIDS AS PPAR MODULATORS PFIZER INC. (US) 2006-01-18 EP disclosed
US-20050234066-A1 Alpha substituted carboxylic acids AGOURON PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050187266-A1 Alpha substituted carboxylic acids PFIZER INC 2005-08-25 US disclosed
WO-2004092145-A1 ALPHA SUBSTITUTED CARBOXYLIC ACID AS PPAR MODULATORS PFIZER INC. (US) 2004-10-28 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 (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-20050234066-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD CYP3A4 930/4885HSD17B1 328/4885HSD17B2 565/4885
US-20050187266-A1 Alpha substituted carboxylic acids PPARG, PPARA, PPARD CYP3A4 930/4885HSD17B1 328/4885HSD17B2 565/4885

“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.