SCHEMBL21501178

SCHEMBL21501178

CCOC(=O)C(O)C(F)(F)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK14 Q16539 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LTA4H P09960 2/20 0.42
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL21501145 0.84 ALDH1A1 (0.46) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL21501175 0.78 NPC1 (0.52) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL21501179 0.77 NPC1 (0.51) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL20326485 0.75 LMNA (0.48) PPARGLMNALTA4HHDAC1HDAC2
SCHEMBL5753961 0.74 MAPK14 (0.55) PPARGPPARAMEN1KMT2AMAPK14
SCHEMBL5749823 0.74 MEN1 (0.48) PPARGPPARAMEN1KMT2AMAPK14
Diphenylether SCHEMBL27707177 0.73 NPC1 (0.60) NPC1RAB9AHPGDCRHBPCRHR2
SCHEMBL21501230 0.73 TLR8 (0.40) PPARGPPARAMEN1KMT2AALDH1A1
SCHEMBL20325775 0.73 TAS1R3 (0.40) NPC1RAB9AKMT2AALDH1A1LMNA
SCHEMBL7756224 0.72 NPC1 (0.52) NPC1RAB9AHPGDCRHBPCRHR2

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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARM INC (US) 2019-10-24 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-20190322676-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE UGCG, MAN2B1, GBA1 NPC1 83/4885RAB9A 2174/4885HPGD 1607/4885

“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.