SCHEMBL7042497

SCHEMBL7042497

CCCOc1cc(C(=O)O)c2c(c1)C(=O)CC2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
BRD4 O60885 1/20 0.41
PTPN11 Q06124 5/20 0.41
MPL P40238 2/20 0.41
ELANE P08246 2/20 0.40
PLA2G2A P14555 1/20 0.40
MCL1 Q07820 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KAT6A Q92794 1/20 0.37
DHODH Q02127 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL6872167 0.92 PLA2G2A (0.51) BRD4PTPN11PLA2G2AMCL1TSHR
SCHEMBL7114606 0.86 ALDH1A1 (0.43) KMT2ABRD4ELANELMNAL3MBTL1
SCHEMBL7184636 0.80 SMN1; SMN2 (0.45) HTTKMT2AMCL1L3MBTL1
SCHEMBL6873797 0.79 GAA (0.45) KMT2AKAT6ALMNATSHR
SCHEMBL7167199 0.79 TSHR (0.48) BRD4PTPN11PLA2G2ALMNAL3MBTL1
SCHEMBL27353157 0.77 KMT2A (0.42) HTTKMT2APTPN11MPLPLA2G2A
SCHEMBL6879965 0.74 METAP2 (0.38) HTTKMT2AL3MBTL1TSHR
SCHEMBL166579 0.72 KMT2A (0.45) HTTKMT2APTPN11PLA2G2AMCL1
SCHEMBL18304664 0.72 KAT6A (0.58) HTTKMT2APTPN11PLA2G2AMCL1
SCHEMBL8146895 0.70 KMT2A (0.58) HTTKMT2APTPN11MCL1PDE10A

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 HTT 1965/4885KMT2A 2207/4885BRD4 2195/4885

“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.