SCHEMBL5640932

SCHEMBL5640932

COC(=O)COc1cc(OC)c(SCc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.51
THRB P10828 2/20 0.51
CEPT1 Q9Y6K0 6/20 0.49
MAPT P10636 7/20 0.47
CETP P11597 5/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
RXFP1 Q9HBX9 3/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL5640845 0.93 PPARD (0.51) TP53THRBCEPT1MAPTCETP
SCHEMBL5637864 0.91 MAPT (0.48) TP53THRBCEPT1MAPTCETP
SCHEMBL5639080 0.87 KDR (0.49) TP53THRBCEPT1MAPTCETP
SCHEMBL5510490 0.84 PPARD (0.54) MAPTKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL5641009 0.84 PPARD (0.49) TP53THRBCEPT1MAPTCETP
SCHEMBL5638711 0.80 PPARD (0.49) TP53THRBMAPTCETPKDM4E
SCHEMBL5638268 0.76 KDM4E (0.46) TP53THRBCEPT1MAPTCETP
SCHEMBL5511145 0.76 PPARD (0.55) TP53MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3809616 0.76 PPARD (0.65) MAPTSMN1; SMN2POLB
SCHEMBL5511090 0.74 PPARD (0.69)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
US-7244763-B2 Compounds that modulate PPAR activity and methods of preparation WARNER LAMBERT COMPANY LLC (US) 2007-07-17 US disclosed
EP-1620086-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION Warner-Lambert Company LLC (US) 2006-02-01 EP disclosed
US-6875780-B2 Compounds that modulate PPAR activity and methods for their preparation WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
WO-2004091604-A1 COMPOUNDS THAT MODULATE PPAR ACTIVITY AND METHODS OF PREPARATION WARNER-LAMBERT COMPANY LLC (US) 2004-10-28 WO disclosed
US-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation BRATTON LARRY D (US) 2004-10-21 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-20040209936-A1 Compounds that modulate PPAR activity and methods of preparation PPARA, PPARG, PPARD TP53 2140/4885THRB 405/4885CEPT1 1394/4885

“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.