SCHEMBL4356303

SCHEMBL4356303

CC(C)Cc1cc(C=O)no1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
S1PR3 Q99500 1/20 0.44
RAB9A P51151 10/20 0.43
ALDH1A1 P00352 7/20 0.43
NPC1 O15118 8/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 7/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL19801128 0.81 ALDH1A1 (0.40) S1PR1S1PR3RAB9AALDH1A1NPC1
SCHEMBL14235588 0.80
SCHEMBL28599955 0.77 S1PR1 (0.44) S1PR1S1PR3RAB9AALDH1A1NPC1
SCHEMBL24346840 0.74 DAO (0.35) RAB9AALDH1A1NPC1MAPTSMN1; SMN2
SCHEMBL29955129 0.74 ACHE (0.32) S1PR1S1PR3MAPTLMNA
SCHEMBL309854 0.74
SCHEMBL10154815 0.73 RAB9A (0.46) S1PR1S1PR3RAB9AALDH1A1NPC1
SCHEMBL1162479 0.72 VHL (0.50) S1PR1S1PR3RAB9AALDH1A1NPC1
SCHEMBL10120992 0.72 S1PR1 (0.45) S1PR1S1PR3RAB9AALDH1A1NPC1
SCHEMBL3763783 0.72 S1PR1 (0.39) S1PR1S1PR3RAB9AALDH1A1NPC1

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-20090286812-A1 GPR119 Receptor Agonists ERICKSON SHAWN DAVID 2009-11-19 US claimed

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-20090286812-A1 GPR119 Receptor Agonists GPR119, GPR27, GPR139 S1PR1 454/4885S1PR3 514/4885RAB9A 785/4885

“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.