SCHEMBL19795850

SCHEMBL19795850

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.40
GNRHR P30968 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
GRM5 P41594 1/20 0.37
IDH1 O75874 2/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL18012011 0.95 CYP19A1 (0.43) CYP19A1GNRHRGRM5IDH1LMNA
SCHEMBL19795849 0.82 MAPK1 (0.41) CYP19A1LMNAALDH1A1MEN1KMT2A
SCHEMBL18011887 0.82 MAPK1 (0.44) CYP19A1LMNAALDH1A1MEN1KMT2A
SCHEMBL18012041 0.79 IDH1 (0.41) GNRHRIDH1LMNAACHESMN1; SMN2
SCHEMBL18011958 0.79 PDE5A (0.38) GNRHRIDH1ACHEMAOAMAOB
SCHEMBL19795842 0.78 ALDH1A1 (0.34) CYP19A1IDH1TSHRLMNAALDH1A1
SCHEMBL19795852 0.77 IDH1 (0.39) GNRHRSLC6A2SLC6A4SLC6A3IDH1
SCHEMBL19795839 0.77 PDE5A (0.37) GNRHRSLC6A2SLC6A4SLC6A3IDH1
SCHEMBL19997586 0.75 RAB9A (0.43) TSHRLMNAALDH1A1KDM4EKMT2A
SCHEMBL17558083 0.75 RAB9A (0.43) TSHRLMNAALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2018-01-25 US 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-20180022697-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS AND THERAPEUTIC METHODS USING THE SAME GBA1, GBA2, GAA CYP19A1 4343/4885GNRHR 4331/4885SLC6A2 2404/4885

“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.