SCHEMBL5887992

SCHEMBL5887992

CC(C)=CC[C@@H](Cc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.49
EPHX2 P34913 1/20 0.49
KMT2A Q03164 2/20 0.46
PPARA Q07869 4/20 0.45
GRIK1 P39086 1/20 0.45
GRIK2 Q13002 1/20 0.45
CYP1A2 P05177 1/20 0.44
MEN1 O00255 1/20 0.43
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
FDFT1 P37268 1/20 0.42
MME P08473 2/20 0.42

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
SCHEMBL5887996 1.00 PPARG (0.49) PPARGEPHX2KMT2APPARAGRIK1
SCHEMBL8815832 0.85 CYP1A2 (0.63) GRIK1GRIK2CYP1A2MME
SCHEMBL4663230 0.81 CYP1A2 (0.65) PPARGEPHX2KMT2APPARACYP1A2
SCHEMBL17497191 0.81 PPARG (0.48) PPARGEPHX2KMT2APPARAGRIK1
SCHEMBL8301284 0.81 PPARG (0.48) PPARGEPHX2KMT2APPARAGRIK1
SCHEMBL7713444 0.78 PPARG (0.71) PPARGEPHX2KMT2APPARACYP1A2
SCHEMBL7713441 0.78 PPARG (0.71) PPARGEPHX2KMT2APPARACYP1A2
Hydrochloric Acid SCHEMBL9239573 0.77 PPARG (0.69) PPARGEPHX2KMT2APPARACYP1A2
SCHEMBL7325309 0.75 PPARG (0.49) PPARGEPHX2KMT2APPARACYP1A2
SCHEMBL4619329 0.75 PPARG (0.55) PPARGEPHX2KMT2APPARACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7026335-B2 Melanocortin receptor ligands THE PROCTER & GAMBLE CO. (US) 2006-04-11 US disclosed
US-20050171158-A1 Melanocortin receptor ligands EBETINO FRANK H (US) 2005-08-04 US disclosed
EP-1499588-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2005-01-26 EP disclosed
US-20030236230-A1 Melanocortin receptor ligands THE PROCTER & GAMBLE COMPANY 2003-12-25 US disclosed
WO-2003093234-A1 MELANOCORTIN RECEPTOR LIGANDS THE PROCTER & GAMBLE COMPANY (US) 2003-11-13 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-20050171158-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R PPARG 914/4885EPHX2 1759/4885KMT2A 383/4885
US-20030236230-A1 Melanocortin receptor ligands MC1R, MC4R, MC5R PPARG 1081/4885EPHX2 1579/4885KMT2A 297/4885

“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.