SCHEMBL19862033

SCHEMBL19862033

CC1=NC(C)(C)Cc2cc(-c3ccc(F)cc3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP11B2 P19099 4/20 0.38
CYP17A1 P05093 4/20 0.36
UGCG Q16739 1/20 0.35
CYP11B1 P15538 2/20 0.34
TDP2 O95551 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PGR P06401 1/20 0.33
ALPL P05186 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL19862060 0.79 UGCG (0.46) CYP3A4ALDH1A1KDM4ECYP2D6HPGD
SCHEMBL19862059 0.76 MEN1 (0.46) ALDH1A1KDM4EHPGDUGCGMEN1
SCHEMBL22782815 0.74 CYP1A2 (0.39) ALDH1A1KDM4ECYP2D6HPGDCYP11B2
SCHEMBL19862022 0.72 MAPK10 (0.46) CYP3A4ALDH1A1KDM4ECYP11B2CYP17A1
SCHEMBL19862027 0.71 CYP3A4 (0.40) CYP3A4CYP11B2CYP17A1UGCGCYP11B1
SCHEMBL21261977 0.71 CYP3A4 (0.36) CYP3A4CYP11B2CYP17A1CYP11B1PGR
SCHEMBL22782767 0.70 CYP1A2 (0.36) ALDH1A1KDM4ECYP2D6HPGDCYP11B2
SCHEMBL22782770 0.70 CYP1A2 (0.39) ALDH1A1KDM4ECYP2D6HPGDCYP11B2
SCHEMBL1482704 0.67 CYP3A4 (0.51) CYP3A4CYP11B2CYP17A1CYP11B1TDP2
SCHEMBL20300730 0.66 PRF1 (0.44) ALDH1A1KDM4ETDP2SMN1; SMN2MAPT

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-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2018-02-15 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-20180044302-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 CYP3A4 3339/4885ALDH1A1 1342/4885KDM4E 4557/4885

“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.