SCHEMBL8979284

SCHEMBL8979284

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.55
ALOX15 P16050 5/20 0.55
CYP2D6 P10635 1/20 0.55
PPARG P37231 8/20 0.52
CYP19A1 P11511 6/20 0.52
FFAR1 O14842 5/20 0.52
OXER1 Q8TDS5 4/20 0.52
MAPT P10636 4/20 0.52
RXRA P19793 2/20 0.52
PPARA Q07869 7/20 0.52
F7 P08709 7/20 0.52
F3 P13726 7/20 0.52
PPARD Q03181 6/20 0.52
PTGS1 P23219 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 3/20 0.52
CYP3A4 P08684 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52

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
SCHEMBL9407470 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL9407472 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL9407474 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL3683935 1.00 ALDH1A1 (0.55) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL1564477 0.93
SCHEMBL841087 0.93
SCHEMBL841088 0.93
SCHEMBL31501796 0.90 PPARA (0.50) ALDH1A1ALOX15CYP2D6PPARGCYP19A1
SCHEMBL6899945 0.88 PPARA (0.49) ALDH1A1ALOX15PPARGCYP19A1FFAR1
SCHEMBL19830162 0.88 PPARA (0.49) ALDH1A1ALOX15CYP2D6PPARGCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334408-B2 Analogs of alpha galactosylceramide and uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2012-12-18 US disclosed
US-20120269857-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF LUDWIG INSTITUTE FOR CANCER RESEARCH 2012-10-25 US disclosed
US-8188313-B2 Analogs of alpha galactosylceramide and uses thereof THE UNIVERSITY OF BIRMINGHAM (GB) 2012-05-29 US disclosed
US-20120034269-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF CERUNDOLO VINCENZO (GB) 2012-02-09 US disclosed
US-8039670-B2 Analogs of alpha galactosyceramide and uses thereof LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2011-10-18 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 (2 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-20120034269-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF UGCG, CD69, GALC ALDH1A1 2446/4885ALOX15 793/4885CYP2D6 3802/4885
US-20120269857-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF UGCG, GALC, CD69 ALDH1A1 2622/4885ALOX15 878/4885CYP2D6 3809/4885

“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.