SCHEMBL16595672

SCHEMBL16595672

COC(=O)C(O)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
MAOB P27338 4/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
GPR35 Q9HC97 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 2/20 0.44
MAPT P10636 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL16595211 0.82 ALDH1A1 (0.51) KDM4EALDH1A1GPR35MEN1KMT2A
SCHEMBL24681539 0.74 TAS1R3 (0.57) ALOX5TAS1R3TAS1R1MAOBKDM4E
SCHEMBL16595657 0.73 ALOX5 (0.49) ALOX5TAS1R3TAS1R1MAOBKDM4E
SCHEMBL12248487 0.72 ALOX5 (0.56) ALOX5MAOBKDM4EALDH1A1CYP1A2
SCHEMBL23258013 0.72 ALOX5 (0.50) ALOX5TAS1R3TAS1R1MAOBKDM4E
SCHEMBL11346189 0.72 ALOX5 (0.57) ALOX5TAS1R3TAS1R1MAOBKDM4E
SCHEMBL9256666 0.72 MAPT (0.45) ALOX5TAS1R3TAS1R1MAOBALDH1A1
SCHEMBL16595668 0.71 KDM4E (0.53) ALOX5MAOBKDM4EALDH1A1CYP1A2
SCHEMBL8060783 0.71 ALOX5 (0.46) ALOX5TAS1R3TAS1R1MAOBKDM4E
SCHEMBL24045421 0.71 TAS1R3 (0.48) ALOX5TAS1R3TAS1R1MAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 WO 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-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 ALOX5 506/4885TAS1R3 2418/4885TAS1R1 1910/4885

“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.