SCHEMBL6872167

SCHEMBL6872167

CCCCCOc1cc(C(=O)O)c2c(c1)C(=O)CC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.51
PTPN11 Q06124 6/20 0.51
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 2/20 0.43
BLM P54132 1/20 0.43
BRD4 O60885 1/20 0.43
MCL1 Q07820 1/20 0.42
RARB P10826 3/20 0.42
PLA2G4A P47712 1/20 0.40

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
SCHEMBL7042497 0.92 HTT (0.42) PLA2G2APTPN11TSHRBRD4MCL1
SCHEMBL7167199 0.87 TSHR (0.48) PLA2G2APTPN11TP53TSHRBRD4
SCHEMBL7114606 0.78 ALDH1A1 (0.43) TSHRBRD4
SCHEMBL6873797 0.77 GAA (0.45) TP53TSHR
SCHEMBL6879965 0.72 METAP2 (0.38) TSHR
SCHEMBL8085899 0.72 PTPN11 (0.68) PLA2G2APTPN11TP53TSHRPLA2G4B
SCHEMBL23748612 0.71 PLA2G2A (0.56) PLA2G2APTPN11TP53TSHRPLA2G4B
SCHEMBL23352171 0.71 PLA2G2A (0.56) PLA2G2APTPN11TP53TSHRPLA2G4B
SCHEMBL29173955 0.71 PLA2G2A (0.56) PLA2G2APTPN11TP53TSHRPLA2G4B
SCHEMBL12921977 0.71 BRD4 (0.66) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087655-A1 6-Substituted indanoyl amino acid conjugates as mimics to the biological activity of coronatine MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV (DE) 2004-05-06 US disclosed
EP-1351922-A2 6-SUBSTITUTED INDANOYL AMINO ACID CONJUGATES AS MIMICS TO THE BIOLOGICAL ACTIVITY OF CORONATINE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-10-15 EP disclosed
WO-2002055480-A2 6-SUBSTITUTED INDANOYL AMINO ACID CONJUGATES AS MIMICS TO THE BIOLOGICAL ACTIVITY OF CORONATINE MAX PLANCK GESELLSCHAFT (DE) 2002-07-18 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-20040087655-A1 6-Substituted indanoyl amino acid conjugates as mimics to the biological activity of coronatine CORO1C, CORO1A, AGER PLA2G2A 1408/4885PTPN11 3471/4885TP53 1142/4885

“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.