SCHEMBL6177637

SCHEMBL6177637

COc1ccc(CC(CC(=O)O)Cc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.60
PPARG P37231 1/20 0.59
PPARA Q07869 1/20 0.59
PKM P14618 1/20 0.53
LTA4H P09960 1/20 0.53
MMP1 P03956 3/20 0.50
MMP2 P08253 2/20 0.50
NPC1 O15118 2/20 0.50
MMP9 P14780 2/20 0.50
RAB9A P51151 1/20 0.50
POLB P06746 1/20 0.50
KMT2A Q03164 1/20 0.50
FPR2 P25090 1/20 0.50
MMP3 P08254 1/20 0.50
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
MMP13 P45452 1/20 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
SCHEMBL11221835 0.92 LDHA (0.66) LDHAPPARGPPARAPKMMMP1
SCHEMBL6177946 0.90 MMP1 (0.56) LDHAPPARGPPARAPKMMMP1
SCHEMBL27430567 0.87 LDHA (0.60) LDHAPPARGPPARAPKMMMP1
SCHEMBL11775034 0.84 LTA4H (0.67) LDHAPPARGPPARALTA4HKMT2A
SCHEMBL6176552 0.84 CPA3 (0.64) PKMLTA4HMMP2MMP9
SCHEMBL4884357 0.83 NPC1 (0.53) LDHAPPARGPPARANPC1RAB9A
SCHEMBL4887054 0.83 NPC1 (0.53) LDHAPPARGPPARANPC1RAB9A
SCHEMBL4884374 0.83 NPC1 (0.53) LDHAPPARGPPARANPC1RAB9A
SCHEMBL27829876 0.81 ALDH1A1 (0.62) LDHAPPARGPPARAPKM
SCHEMBL6176524 0.81 PKM (0.60) LDHAPPARGPPARAPKM

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-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR LDHA 3911/4885PPARG 2449/4885PPARA 2296/4885

“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.