SCHEMBL18012011

SCHEMBL18012011

COc1cccc([C@H]2O[C@@H](c3cccc(OC)c3)N3C2C(=O)OC[C@@H]3c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
GNRHR P30968 1/20 0.40
GRM5 P41594 1/20 0.40
IDH1 O75874 2/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.37
MAOB P27338 1/20 0.37
ABCB1 P08183 1/20 0.37
AR P10275 1/20 0.37
ABCG2 Q9UNQ0 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
SCHEMBL19795850 0.95 CYP19A1 (0.40) CYP19A1GNRHRGRM5IDH1LMNA
SCHEMBL18011887 0.86 MAPK1 (0.44) CYP19A1LMNAMEN1ALDH1A1KMT2A
SCHEMBL18011958 0.83 PDE5A (0.38) GNRHRIDH1MAOB
SCHEMBL18012041 0.83 IDH1 (0.41) GNRHRIDH1LMNASMN1; SMN2
SCHEMBL19795849 0.83 MAPK1 (0.41) CYP19A1LMNAMEN1ALDH1A1KMT2A
SCHEMBL19795842 0.82 ALDH1A1 (0.34) CYP19A1IDH1LMNAMEN1ALDH1A1
SCHEMBL19795839 0.79 PDE5A (0.37) GNRHRIDH1MAPTSMN1; SMN2MAOB
SCHEMBL19795852 0.79 IDH1 (0.39) GNRHRIDH1LMNASMN1; SMN2
SCHEMBL19997586 0.79 RAB9A (0.43) LMNAKDM4EALDH1A1KMT2AMAPT
SCHEMBL761654 0.79 RAB9A (0.43) LMNAKDM4EALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253734-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2020-12-23 EP disclosed
US-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-12 US disclosed
US-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2018-01-25 US disclosed
WO-2016126572-A2 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-08-11 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 (2 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-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME GBA1, GBA2, GAA CYP19A1 4343/4885GNRHR 4331/4885GRM5 4103/4885
US-10202340-B2 Glucosylceramide synthase inhibitors and therapeutic methods using the same GBA1, GBA2, GAA CYP19A1 4343/4885GNRHR 4331/4885GRM5 4103/4885

“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.