SCHEMBL8979277

SCHEMBL8979277

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.41
PPARG P37231 6/20 0.40
ALDH1A1 P00352 6/20 0.40
PPARA Q07869 5/20 0.40
FFAR1 O14842 4/20 0.40
PPARD Q03181 4/20 0.40
KDM4E B2RXH2 4/20 0.40
F7 P08709 4/20 0.40
F3 P13726 4/20 0.40
CYP19A1 P11511 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
FABP4 P15090 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
NR4A2 P43354 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 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
SCHEMBL8978504 0.94 FAAH (0.38) F7F3MAPTLMNAFABP4
SCHEMBL11289252 0.82 FAAH (0.38) PPARGPPARAPPARDF7F3
SCHEMBL13178900 0.79 ALDH1A1 (0.61) PPARGALDH1A1PPARAFFAR1PPARD
SCHEMBL3683935 0.78 ALDH1A1 (0.55) PPARGALDH1A1PPARAFFAR1PPARD
SCHEMBL8979284 0.78 ALDH1A1 (0.55) PPARGALDH1A1PPARAFFAR1PPARD
SCHEMBL9407474 0.78 ALDH1A1 (0.55) PPARGALDH1A1PPARAFFAR1PPARD
SCHEMBL9407470 0.78 ALDH1A1 (0.55) PPARGALDH1A1PPARAFFAR1PPARD
SCHEMBL9407472 0.78 ALDH1A1 (0.55) PPARGALDH1A1PPARAFFAR1PPARD
SCHEMBL25417540 0.78 TDP1 (0.43) PPARGPPARAPPARDF7F3
SCHEMBL14264928 0.78 TDP1 (0.43) PPARGPPARAPPARDF7F3

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 4 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

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 PLA2G4A 209/4885PPARG 1805/4885ALDH1A1 2446/4885
US-20120269857-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF UGCG, GALC, CD69 PLA2G4A 225/4885PPARG 1809/4885ALDH1A1 2622/4885

“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.