SCHEMBL20022957

SCHEMBL20022957

O=C(COc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ PLA2G4B P0C869 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ NR4A1 P22736 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ NR4A3 Q92570 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALPL P05186 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
SCHEMBL20023010 0.89 ADAMTS5 (0.52) ALDH1A1KMT2APLA2G4BTP53MAPT
SCHEMBL20023046 0.85 RXRA (0.53) KMT2AL3MBTL1NPC1RAB9AALOX5
SCHEMBL20382532 0.83 ALOX15 (0.50) ALOX15ALDH1A1KMT2APLA2G4BHPGD
SCHEMBL20022968 0.83 TSHR (0.53) ALDH1A1KMT2AMAPTNR4A1NR4A2
SCHEMBL20023012 0.82 MRGPRX4 (0.53) ALDH1A1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8681578 0.82 ALDH1A1 (0.61) ALOX15ALDH1A1KMT2APLA2G4BHPGD
SCHEMBL7642087 0.82 TAAR1 (0.51) ALOX15ALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL7634913 0.81 HDAC1 (0.55) —
SCHEMBL13826359 0.81 ALDH1A1 (0.56) ALDH1A1KMT2AHPGDMAPTMAPK1
SCHEMBL7331903 0.81 ALOX15 (0.55) ALOX15ALDH1A1KMT2AHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 — — US disclosed
US-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors GENZYME CORPORATION 2018-04-05 — — 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-20180093981-A1 2-Acylaminopropoanol-Type Glucosylceramide Synthase Inhibitors ASAH2, GBA1, GAA ALOX15 906/4885ALDH1A1 961/4885KMT2A 1937/4885

“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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