SCHEMBL20023136

SCHEMBL20023136

CC(C)Oc1ccc(C(=O)NCCCCCC(=O)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.48
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL20023054 0.86 EGFR (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023027 0.85 NPC1 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023077 0.85 EGFR (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20023090 0.82 PDE4B (0.46) KMT2ANPC1RAB9AALDH1A1HTT
SCHEMBL11759690 0.80 RAB9A (0.69) KMT2AMAPK1HPGDPOLBNPC1
SCHEMBL20023094 0.80 EGFR (0.47) KMT2ANPC1RAB9AALDH1A1HTT
SCHEMBL19287528 0.78 KMT2A (0.59) HDAC3HDAC1HDAC2HDAC6KMT2A
SCHEMBL7401587 0.75 KMT2A (0.65) KMT2AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL26012752 0.73 HTT (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7636847 0.73 ALDH1A1 (0.46) KMT2AMAPK1ALDH1A1HTT

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 HDAC3 1805/4885HDAC4 2178/4885HDAC1 885/4885

“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.