SCHEMBL19043286

SCHEMBL19043286

CC(C)(CCCCCC=O)OCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.34
TSHR P16473 4/20 0.34
ALDH1A1 P00352 2/20 0.34
CETP P11597 3/20 0.33
PTPN1 P18031 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH7 P40394 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL9157315 0.82 PTPN1 (0.36) TSHRPTPN1LMNAADH1BADH1C
SCHEMBL21327698 0.78 TSHR (0.48) TSHRALDH1A1PTPN1MAPK1TDP1
SCHEMBL28055769 0.78 ALDH1A1 (0.41) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL22775989 0.77 TSHR (0.40) TSHRALDH1A1MAOA
SCHEMBL19829244 0.77 CETP (0.41) TSHRALDH1A1CETPCYP3A4MAPK1
SCHEMBL18595451 0.75 SLC6A2 (0.39) TSHRALDH1A1LMNAADH1BADH1C
SCHEMBL3049270 0.74 NAAA (0.31) MBOAT4TSHRALDH1A1CETPPTPN1
SCHEMBL20023050 0.73 ALDH1A1 (0.43) MBOAT4TSHRALDH1A1CYP3A4MAPK1
SCHEMBL6983502 0.73 TSHR (0.43) TSHRALDH1A1PTPN1MAPK1TDP1
SCHEMBL18525626 0.73 TSHR (0.43) TSHRALDH1A1CETPPTPN1CYP3A4

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 4 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-9744153-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
US-9745294-B2 2-acylaminopropoanol-type glucosylceramide synthase inhibitors GENZYME CORPORATION (US) 2017-08-29 US disclosed
EP-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 EP 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 MBOAT4 787/4885TSHR 2541/4885ALDH1A1 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.