SCHEMBL20022967

SCHEMBL20022967

O=C(CCCCc1ccc(-c2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 3/20 0.55
HDAC1 Q13547 2/20 0.54
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MGLL Q99685 5/20 0.51
FAAH O00519 1/20 0.51
FFAR1 O14842 3/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 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
SCHEMBL20022969 0.96 HDAC2 (0.53) HDAC2HDAC1MAPTRXFP1MGLL
SCHEMBL7634942 0.93 MAPT (0.61) HDAC2HDAC1MAPTRXFP1FAAH
SCHEMBL7641769 0.91 MAPT (0.64) HDAC2HDAC1MAPTRXFP1FAAH
SCHEMBL7642747 0.91 MAPT (0.64) HDAC2HDAC1MAPTRXFP1FAAH
SCHEMBL7637978 0.88 HDAC1 (0.61) HDAC2HDAC1MAPTRXFP1PLAAT3
SCHEMBL18019583 0.86 FFAR1 (0.54) HDAC2HDAC1MAPTRXFP1MGLL
SCHEMBL18019582 0.86 FFAR1 (0.54) HDAC2HDAC1MAPTRXFP1MGLL
SCHEMBL18019589 0.83 FFAR1 (0.54) HDAC2HDAC1MAPTRXFP1MGLL
SCHEMBL20023049 0.83 HDAC1 (0.55) HDAC2HDAC1MAPTFFAR1HDAC3
SCHEMBL18019599 0.82 FFAR1 (0.56) HDAC2HDAC1MAPTRXFP1MGLL

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 HDAC2 798/4885HDAC1 885/4885MAPT 2401/4885

“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.