SCHEMBL21501145

SCHEMBL21501145

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
CES2 O00748 1/20 0.43
ACHE P22303 1/20 0.43
CES1 P23141 1/20 0.43
ALOX15 P16050 2/20 0.42
EPHX2 P34913 1/20 0.41
LDHA P00338 1/20 0.41
GLA P06280 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 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
SCHEMBL20325775 0.88 TAS1R3 (0.40) ALDH1A1KMT2AGAAALOX15LDHA
SCHEMBL21501178 0.84 NPC1 (0.49) ALDH1A1KMT2AEPHX2HDAC1HDAC2
SCHEMBL4653290 0.81 LDHA (0.50) ALDH1A1CES2CES1ALOX15LDHA
SCHEMBL21501400 0.78 CNR2 (0.41) ALDH1A1KMT2ALMNAMAPK1
SCHEMBL20325777 0.76 ALDH1A1 (0.56) ALDH1A1KMT2AGAACES2ACHE
SCHEMBL13221585 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AGAAALOX15EPHX2
SCHEMBL21501143 0.75 CES2 (0.51) ALDH1A1KMT2AGAACES2ACHE
SCHEMBL8937418 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AGAAALOX15EPHX2
SCHEMBL21033758 0.74 ATM (0.44) KMT2AGAALMNAHSD17B10TDP1
SCHEMBL30038752 0.74 ATM (0.44) KMT2AGAALMNAHSD17B10TDP1

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 ALDH1A1 2406/4885KMT2A 484/4885GAA 7/4885

“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.