SCHEMBL20023024

SCHEMBL20023024

COc1ccc(CCC(=O)C(=O)OCc2ccccc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 4/20 0.47
FFAR4 Q5NUL3 2/20 0.47
OPRD1 P41143 1/20 0.46
PLAAT3 P53816 2/20 0.45
PLAAT5 Q96KN8 2/20 0.45
PLAAT2 Q9NWW9 2/20 0.45
PLAAT4 Q9UL19 2/20 0.45
MEN1 O00255 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FFAR1 O14842 2/20 0.45
CDK8 P49336 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
ALOX5 P09917 2/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 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
SCHEMBL7060334 0.90 KMT2A (0.58) APPALDH1A1KMT2AFFAR4PLAAT3
SCHEMBL7059127 0.80 PLAAT3 (0.61) ALDH1A1KMT2AFFAR4PLAAT3PLAAT5
SCHEMBL7060138 0.80 PLAAT3 (0.58) HPGDSMN1; SMN2ALDH1A1KMT2AFFAR4
SCHEMBL7061713 0.80 PLAAT3 (0.57) ALDH1A1KMT2AFFAR4PLAAT3PLAAT5
SCHEMBL1207379 0.80 FFAR1 (0.57) HPGDKMT2AFFAR4OPRD1FFAR1
SCHEMBL7060700 0.79 TDP1 (0.56) SMN1; SMN2ALDH1A1KMT2AFFAR4PLAAT5
SCHEMBL7061701 0.79 ABCB1 (0.50) HPGDALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL7058700 0.79 MTNR1A (0.52) KMT2AMEN1L3MBTL1MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL1375864 0.78 FFAR1 (0.56) HPGDSMN1; SMN2ALDH1A1KMT2AFFAR4
SCHEMBL7059739 0.78 CYP1A2 (0.57) FFAR4FFAR1ALOX5

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 APP 808/4885HPGD 1055/4885SMN1; SMN2 964/4885

“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.