SCHEMBL4093370

SCHEMBL4093370

CC(C)C(=O)Oc1cccc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 1/20 0.40
ELANE P08246 2/20 0.40
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
P2RX3 P56373 4/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 1/20 0.34
AGTR1 P30556 1/20 0.34
ALOX15 P16050 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL9326030 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1GAASMN1; SMN2F2
SCHEMBL21801447 0.80 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAASMN1; SMN2F2
SCHEMBL1732930 0.78 L3MBTL1 (0.45) L3MBTL1ALDH1A1GAASMN1; SMN2F2
SCHEMBL9326634 0.77 JAK2 (0.46) L3MBTL1ALDH1A1F2TSHRMAPT
SCHEMBL28677153 0.77 ALDH1A1 (0.46) L3MBTL1ALDH1A1GAASMN1; SMN2F2
SCHEMBL9324812 0.76 NPSR1 (0.47) L3MBTL1ALDH1A1GAASMN1; SMN2F2
SCHEMBL12806428 0.75 L3MBTL1 (0.47) L3MBTL1ALDH1A1GAASMN1; SMN2F2
SCHEMBL7769409 0.72 L3MBTL1 (0.48) L3MBTL1ALDH1A1GAASMN1; SMN2F2
SCHEMBL9326908 0.72 MEN1 (0.50) L3MBTL1SMN1; SMN2F2TSHRMAPT
SCHEMBL425129 0.72 L3MBTL1 (0.40) L3MBTL1ALDH1A1GAASMN1; SMN2CYP3A4

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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 L3MBTL1 1809/4885ALDH1A1 389/4885GAA 1538/4885

“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.