SCHEMBL20022969

SCHEMBL20022969

O=C(CCCc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC7 Q8WUI4 2/20 0.53
HDAC10 Q969S8 2/20 0.53
HDAC11 Q96DB2 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
HDAC9 Q9UKV0 2/20 0.53
HDAC5 Q9UQL6 2/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
SLC6A3 Q01959 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
FFAR1 O14842 3/20 0.51
MGLL Q99685 5/20 0.50
PLAAT3 P53816 2/20 0.48
PLAAT5 Q96KN8 2/20 0.48
PLAAT2 Q9NWW9 2/20 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
SCHEMBL20022967 0.96 HDAC2 (0.55) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL7637978 0.92 HDAC1 (0.61) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL7634942 0.88 MAPT (0.61) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL7641769 0.86 MAPT (0.64) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL7642747 0.86 MAPT (0.64) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL18019599 0.86 FFAR1 (0.56) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL7634833 0.85 PLAAT3 (0.63) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL20023087 0.85 HSD17B10 (0.61) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL18019589 0.85 FFAR1 (0.54) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL7060700 0.82 TDP1 (0.56) HDAC2HDAC1HDAC3HDAC4HDAC7

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 HDAC2 798/4885HDAC1 885/4885HDAC3 1805/4885

“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.