SCHEMBL16596076

SCHEMBL16596076

COc1c(F)cc(Br)cc1OC(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APLNR P35414 2/20 0.31
TUBB1 Q9H4B7 2/20 0.31
ACLY P53396 1/20 0.31
ERN1 O75460 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31

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
SCHEMBL16595966 0.86 ALOX15 (0.41) ALOX15ALOX12MAPTNPC1LMNA
SCHEMBL26927713 0.83 ALOX15 (0.47) ALOX15ALOX12MAPTTUBB1ERN1
SCHEMBL31500460 0.83 ALOX15 (0.47) ALOX15ALOX12MAPTTUBB1ERN1
SCHEMBL30524502 0.79 LMNA (0.35) ALOX12MAPTNPC1LMNANFKB1
SCHEMBL21167054 0.79 LMNA (0.35) ALOX12MAPTNPC1LMNANFKB1
SCHEMBL10986 0.78 CA2 (0.41) ALOX15ALOX12MAPTHSD17B10NPSR1
SCHEMBL21823706 0.75 NCOA1 (0.45) MAPTLMNASMN1; SMN2HSD17B10TUBB1
Iodomethane SCHEMBL4667431 0.74 HSD17B10 (0.38) ALOX15ALOX12MAPTHSD17B10NPSR1
SCHEMBL282529 0.74 GABRA1 (0.45) MAPTHSD17B10NPSR1APLNR
SCHEMBL21823376 0.74 ERN1 (0.40) ALOX15ALOX12HSD17B10TUBB1ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
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 ALOX15 490/4885ALOX12 398/4885MAPT 2871/4885

“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.