SCHEMBL6882585

SCHEMBL6882585

CCc1ccc(CCC(=O)O)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
METAP2 P50579 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 2/20 0.42
KAT8 Q9H7Z6 1/20 0.42
EGFR P00533 1/20 0.42
LCK P06239 1/20 0.42

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
SCHEMBL3388697 0.86 ALDH1A1 (0.52) METAP2ALDH1A1MEN1USP2KMT2A
SCHEMBL3692519 0.84 NPSR1 (0.50) NPSR1ALDH1A1POLBPPARGPPARD
SCHEMBL14093023 0.83 ALDH1A1 (0.46) NPSR1METAP2ALDH1A1MEN1USP2
SCHEMBL6883303 0.77 HSD17B10 (0.51) NPSR1POLBHPGD
SCHEMBL1287171 0.76 ALDH1A1 (0.54) METAP2ALDH1A1MEN1USP2KMT2A
SCHEMBL4814721 0.76 APEX1 (0.55) NPSR1ALDH1A1POLBMAPTHPGD
SCHEMBL672247 0.76 NPSR1 (0.56) NPSR1ALDH1A1POLBHPGD
SCHEMBL6882571 0.75 POLB (0.69) ALDH1A1POLBHPGDPPARGPPARD
SCHEMBL3668067 0.75 FFAR1 (0.52) NPSR1ALDH1A1
SCHEMBL6686883 0.75 METAP2 (0.44) METAP2ALDH1A1MEN1USP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102432494-B Novel chemical total synthesis preparation method for coronalon SOUTH CHINA BOTAN GARDEN CAS 2013-12-04 CN claimed
CN-102432494-A Novel chemical total synthesis preparation method of Coronalon SOUTH CHINA BOTAN GARDEN CAS 2012-05-02 CN claimed
CN-102432494-B Novel chemical total synthesis preparation method for coronalon SOUTH CHINA BOTAN GARDEN CAS 2013-12-04 CN disclosed
CN-102432494-B Novel chemical total synthesis preparation method for coronalon SOUTH CHINA BOTAN GARDEN CAS 2013-12-04 CN disclosed
CN-102432494-A Novel chemical total synthesis preparation method of Coronalon SOUTH CHINA BOTAN GARDEN CAS 2012-05-02 CN disclosed
CN-102432494-A Novel chemical total synthesis preparation method of Coronalon SOUTH CHINA BOTAN GARDEN CAS 2012-05-02 CN disclosed
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 NPSR1 3296/4885METAP2 741/4885ALDH1A1 3951/4885

“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.