SCHEMBL6883303

SCHEMBL6883303

CC(=O)c1ccc(CCC(=O)O)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
AKR1C3 P42330 12/20 0.46
AKR1C2 P52895 12/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
ITGA2B P08514 1/20 0.45
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
AKR1B10 O60218 2/20 0.42
AKR1B1 P15121 2/20 0.42
AKR1C4 P17516 2/20 0.42
AKR1C1 Q04828 2/20 0.42
PKM P14618 1/20 0.41
CDK2 P24941 1/20 0.41

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
SCHEMBL13714204 0.82 AKR1C3 (0.51) AKR1C3AKR1C2POLBAKR1B10AKR1B1
SCHEMBL4959239 0.81 PKM (0.58) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL11621722 0.77 AKR1C3 (0.47) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4
SCHEMBL6882585 0.77 NPSR1 (0.46) NPSR1POLBHPGD
SCHEMBL4814721 0.76 APEX1 (0.55) HSD17B10NPSR1ITGB3ITGAVITGA2B
SCHEMBL672247 0.76 NPSR1 (0.56) HSD17B10NPSR1ITGB3ITGAVITGA2B
SCHEMBL6882571 0.75 POLB (0.69) HSD17B10POLBHPGDPKM
SCHEMBL10784805 0.75 NPSR1 (0.47) NPSR1POLB
SCHEMBL14110352 0.75 NPSR1 (0.52) HSD17B10NPSR1POLB
SCHEMBL5066588 0.74 AKR1C3 (0.44) AKR1C3AKR1C2AKR1B10AKR1B1AKR1C4

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 HSD17B10 3326/4885AKR1C3 3158/4885AKR1C2 3895/4885

“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.