SCHEMBL20023005

SCHEMBL20023005

CCCCCCOC(=O)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP3A4 P08684 2/20 0.61
MAPK1 P28482 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 1/20 0.57
CETP P11597 3/20 0.55
TP53 P04637 1/20 0.54
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PPARG P37231 3/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 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
SCHEMBL20023007 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL20023006 1.00 TSHR (0.61) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL9562211 0.98 ALDH1A1 (0.63) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL9790736 0.93 ALDH1A1 (0.69) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL8945466 0.90 TSHR (0.67) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL28476399 0.90 TSHR (0.67) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL18990497 0.90 TSHR (0.67) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL7107538 0.90 TSHR (0.67) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL28102570 0.90 TSHR (0.67) TSHRALDH1A1CYP3A4MAPK1TDP1
SCHEMBL28154418 0.90 TSHR (0.67) TSHRALDH1A1CYP3A4MAPK1TDP1

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 1 patent. 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

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 TSHR 2541/4885ALDH1A1 961/4885CYP3A4 4407/4885

“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.