SCHEMBL20397376

SCHEMBL20397376

CCC/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.76
PPARG P37231 8/20 0.76
CYP19A1 P11511 6/20 0.76
FFAR1 O14842 5/20 0.76
MAPT P10636 5/20 0.76
OXER1 Q8TDS5 4/20 0.76
RXRA P19793 2/20 0.76
F7 P08709 7/20 0.62
F3 P13726 7/20 0.62
PPARD Q03181 6/20 0.62
PPARA Q07869 6/20 0.62
PTGS1 P23219 4/20 0.62
LMNA P02545 4/20 0.62
ALOX15 P16050 4/20 0.62
HSD17B10 Q99714 4/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
KDM4E B2RXH2 3/20 0.62
CYP3A4 P08684 3/20 0.62
HPGD P15428 3/20 0.62
TDP1 Q9NUW8 3/20 0.62

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
SCHEMBL19193490 1.00 ALDH1A1 (0.76) ALDH1A1PPARGCYP19A1FFAR1MAPT
SCHEMBL31461009 1.00 ALDH1A1 (0.76) ALDH1A1PPARGCYP19A1FFAR1MAPT
SCHEMBL3683367 1.00 ALDH1A1 (0.76) ALDH1A1PPARGCYP19A1FFAR1MAPT
SCHEMBL1664949 0.93 PPARG (0.64) ALDH1A1PPARGCYP19A1FFAR1MAPT
SCHEMBL586010 0.93 PPARG (0.64) ALDH1A1PPARGCYP19A1FFAR1MAPT
SCHEMBL2441819 0.93 PPARG (0.64) ALDH1A1PPARGCYP19A1FFAR1MAPT
SCHEMBL466118 0.91 PPARG (0.61) ALDH1A1PPARGCYP19A1FFAR1MAPT
SCHEMBL17473895 0.91 PPARG (0.61) ALDH1A1PPARGCYP19A1FFAR1MAPT
SCHEMBL466117 0.91 PPARG (0.61) ALDH1A1PPARGCYP19A1FFAR1MAPT
SCHEMBL105841 0.90 ALDH1A1 (0.63) ALDH1A1PPARGCYP19A1FFAR1MAPT

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-20180207123-A1 CERAMIDE DERIVATIVES AS ANTICANCER AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-07-26 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-20180207123-A1 CERAMIDE DERIVATIVES AS ANTICANCER AGENTS SGMS1, CERT1, CERS2 ALDH1A1 2463/4885PPARG 3252/4885CYP19A1 3235/4885

“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.