SCHEMBL8978504

SCHEMBL8978504

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TERT O14746 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DUSP3 P51452 1/20 0.33
MMP2 P08253 1/20 0.33

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
SCHEMBL8979277 0.94 PLA2G4A (0.41) USP2LMNAMAPTALOX15RECQL
SCHEMBL11289252 0.87 FAAH (0.38) FAAHTAS1R3TAS1R1TERTGMNN
SCHEMBL25417540 0.83 TDP1 (0.43) FAAHTAS1R3TAS1R1TERTGMNN
SCHEMBL14264928 0.83 TDP1 (0.43) FAAHTAS1R3TAS1R1TERTGMNN
SCHEMBL29106452 0.80 CA1 (0.41) ALOX15
SCHEMBL6729153 0.78
SCHEMBL26972483 0.76 FAAH (0.32) FAAHTAS1R3TAS1R1TERTGMNN
SCHEMBL841088 0.75
SCHEMBL841087 0.75
SCHEMBL13701367 0.75

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 FAAH 736/4885TAS1R3 3215/4885TAS1R1 3167/4885
US-20120269857-A1 ANALOGS OF ALPHA GALACTOSYLCERAMIDE AND USES THEREOF UGCG, GALC, CD69 FAAH 816/4885TAS1R3 3174/4885TAS1R1 3134/4885

“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.