SCHEMBL7985957

SCHEMBL7985957

CCCCCCOc1ccc([C@@H](O)CCN2CC[C@H](O)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2D6 P10635 1/20 0.53
HRH3 Q9Y5N1 8/20 0.50
HRH2 P25021 2/20 0.50
HRH1 P35367 2/20 0.50
LTA4H P09960 2/20 0.49
S1PR5 Q9H228 4/20 0.47
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.44

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
SCHEMBL7994498 0.87 HRH3 (0.51) RAB9AMEN1KMT2AALDH1A1CYP2D6
SCHEMBL21663340 0.83 LTA4H (0.67) MEN1KMT2AALDH1A1CYP2D6HRH3
SCHEMBL13493053 0.81 RAB9A (0.62) RAB9AMEN1KMT2AALDH1A1CYP2D6
SCHEMBL7998333 0.80 LTA4H (0.43) ALDH1A1HRH3HRH2HRH1LTA4H
SCHEMBL29204593 0.79 HRH3 (0.62) MEN1KMT2AALDH1A1CYP2D6HRH3
Hydrochloric Acid SCHEMBL29204587 0.78 HRH3 (0.60) MEN1KMT2AALDH1A1CYP2D6HRH3
SCHEMBL11862156 0.78 HRH3 (0.49) RAB9AMEN1KMT2AALDH1A1HRH3
SCHEMBL21120213 0.75 KMT2A (0.47) RAB9AMEN1KMT2AALDH1A1CYP2D6
SCHEMBL24008438 0.73 RAB9A (0.94) RAB9AMEN1KMT2AALDH1A1CYP2D6
SCHEMBL9499075 0.73 NR5A1 (0.61) RAB9ALTA4HNPC1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 US disclosed
WO-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA RAB9A 2280/4885MEN1 3973/4885KMT2A 1937/4885

“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.