SCHEMBL16595657

SCHEMBL16595657

CCOC(=O)C(F)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
TP53 P04637 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
THRB P10828 1/20 0.45
MAOB P27338 5/20 0.45
KDM4E B2RXH2 4/20 0.43
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
GPR35 Q9HC97 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAOA P21397 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 1/20 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
SCHEMBL16595668 0.80 KDM4E (0.53) ALOX5ALDH1A1TSHRMAOBKDM4E
SCHEMBL5023676 0.76 MAOB (0.69) ALDH1A1TAS1R3TAS1R1MAOBKDM4E
SCHEMBL658471 0.76 TP53 (0.53) ALOX5TP53ALDH1A1TSHRTAS1R3
SCHEMBL16595260 0.74 MAOB (0.52) ALOX5TP53ALDH1A1TSHRTAS1R3
SCHEMBL20799424 0.74 TP53 (0.48) TP53ALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL17996475 0.74 TP53 (0.44) ALOX5TP53ALDH1A1TSHRTAS1R3
SCHEMBL16595672 0.73 ALOX5 (0.52) ALOX5ALDH1A1TSHRTAS1R3TAS1R1
SCHEMBL11484361 0.73 MAOB (0.74) TP53ALDH1A1TSHRTHRBMAOB
SCHEMBL9315814 0.73 TP53 (0.48) ALOX5TP53ALDH1A1TSHRTAS1R3
SCHEMBL23258013 0.72 ALOX5 (0.50) ALOX5TP53ALDH1A1TSHRTAS1R3

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 506/4885TP53 4578/4885ALDH1A1 1342/4885

“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.