SCHEMBL17680422

SCHEMBL17680422

CCO[C@@H](Cc1ccc(C)cc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 20/20 0.68
PPARG P37231 12/20 0.66
PPARD Q03181 11/20 0.66

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
SCHEMBL17680417 0.86 PPARA (0.74) PPARAPPARGPPARD
SCHEMBL3233074 0.86 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL543815 0.86 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL2554435 0.86 PPARA (0.52) PPARAPPARGPPARD
SCHEMBL5543269 0.86 PPARA (0.72) PPARAPPARGPPARD
SCHEMBL4993002 0.86 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL1670312 0.86 PPARA (0.69) PPARAPPARGPPARD
SCHEMBL24328379 0.85 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL3540335 0.85 PPARA (0.66) PPARAPPARGPPARD
SCHEMBL4074678 0.85 PPARA (0.66) PPARAPPARGPPARD

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-9550719-B2 Process for the preparation of 3-aryl-2-hydroxy propanoic acid compounds COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-01-24 US disclosed
US-20160102042-A1 A PROCESS FOR THE PREPARATION OF 3-ARYL-2-HYDROXY PROPANOIC ACID COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2016-04-14 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-20160102042-A1 A PROCESS FOR THE PREPARATION OF 3-ARYL-2-HYDROXY PROPANOIC ACID COMPOUNDS P4HA1, HCAR1, HPD PPARA 206/4885PPARG 525/4885PPARD 538/4885

“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.