SCHEMBL20022995

SCHEMBL20022995

COc1ccc(OCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
TP53 P04637 2/20 0.54
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.50
GSK3B P49841 1/20 0.49
BACE1 P56817 1/20 0.49
FFAR1 O14842 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 3/20 0.48

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
SCHEMBL20023103 0.93 HDAC3 (0.53) TSHRTP53ALDH1A1MAPTMEN1
SCHEMBL20023068 0.91 HDAC3 (0.61) TSHRTP53MEN1KMT2ANPC1
SCHEMBL20023113 0.90 NPC1 (0.49) TSHRTP53ALDH1A1MAPTMEN1
SCHEMBL20022968 0.90 TSHR (0.53) TSHRALDH1A1MAPTKMT2ACYP1A2
SCHEMBL20023066 0.89 L3MBTL1 (0.55) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL20022993 0.89 L3MBTL1 (0.56) TP53ALDH1A1MAPTMEN1KMT2A
SCHEMBL20022987 0.88 MAOB (0.58) TSHRALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL20023079 0.88 L3MBTL1 (0.63) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL20023107 0.87 FFAR1 (0.53) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL20023102 0.86 MAOB (0.65) ALDH1A1MAPTKMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2594563-B1 2-acylaminopropanol-type glucosylceramide synthase inhibitors GENZYME CORP (US) 2018-07-18 EP disclosed
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 TSHR 2541/4885TP53 4477/4885ALDH1A1 961/4885

“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.