SCHEMBL6878776

SCHEMBL6878776

CCCCCOC(=O)C1Cc2ccc(OCCCCC)cc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
THRA P10827 3/20 0.47
THRB P10828 3/20 0.47
BRD4 O60885 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTPN11 Q06124 2/20 0.41
S1PR1 P21453 5/20 0.40
S1PR5 Q9H228 4/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
S1PR3 Q99500 3/20 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
SCHEMBL6383092 0.78 ALDH1A1 (0.70) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL22712798 0.77 KDM4E (0.51) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL14548463 0.73 THRA (0.55) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL385595 0.71 ACHE (0.61) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL19553944 0.71 ACHE (0.66) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL30904647 0.70 TP53 (0.42) THRATHRBPTPN11S1PR1S1PR5
SCHEMBL12921977 0.70 BRD4 (0.66) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL7360779 0.70 TP53 (0.41) PTPN11S1PR1S1PR5TP53TSHR
SCHEMBL14088411 0.69 TSHR (0.57) MEN1ALDH1A1GAAMAPTKMT2A
SCHEMBL8651866 0.69 BRD4 (0.64) MEN1ALDH1A1GAAMAPTKMT2A

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 1 patent. 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

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 MEN1 4590/4885ALDH1A1 3951/4885GAA 1474/4885

“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.