SCHEMBL21501292

SCHEMBL21501292

COc1cc(C(=O)C(=O)O)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CES2 O00748 1/20 0.53
▸ CES1 P23141 1/20 0.53
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA4 P22748 2/20 0.50
▸ CA6 P23280 2/20 0.50
▸ CA7 P43166 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CA14 Q9ULX7 2/20 0.50
▸ TPMT P51580 1/20 0.50
▸ TTR P02766 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL9659618 0.86 CES2 (0.53) MEN1KMT2ARAB9ACES2CES1
SCHEMBL411025 0.85 CA12 (0.69) RAB9ACA12CA1CA2CA4
SCHEMBL27456578 0.83 CYP1A2 (0.68) MEN1KMT2ARAB9ACES2CES1
SCHEMBL339242 0.83 CA12 (0.71) MEN1KMT2ARAB9ACES2CES1
SCHEMBL27468173 0.81 CA12 (0.69) MEN1KMT2ARAB9ACES2CES1
SCHEMBL8195142 0.81 LMNA (0.55) MEN1KMT2ARAB9ACES2CES1
SCHEMBL3856127 0.81 CYP1A2 (0.50) MEN1KMT2ARAB9ACES2CES1
SCHEMBL2762379 0.80 MAPK1 (0.58) CES2CES1CA12CA1CA2
SCHEMBL2253933 0.80 MAPT (0.62) MEN1KMT2ARAB9ACA12CA1
SCHEMBL760262 0.80 MEN1 (0.82) MEN1KMT2ARAB9ACA12CA1

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 MEN1 1675/4885KMT2A 484/4885RAB9A 2174/4885

“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.

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