SCHEMBL7019074

SCHEMBL7019074

O=C(O)CCc1ccc(CCCn2c(=O)oc3ccccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
MAPK1 P28482 3/20 0.66
TSHR P16473 2/20 0.66
LMNA P02545 1/20 0.66
NPSR1 Q6W5P4 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 2/20 0.55
HSD17B10 Q99714 2/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
MIF P14174 1/20 0.52

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
SCHEMBL6476905 0.84 TSHR (0.62) ALDH1A1MAPK1TSHRLMNANPSR1
SCHEMBL11135147 0.84 ALDH1A1 (0.77) ALDH1A1MAPK1TSHRLMNANPSR1
SCHEMBL11139506 0.84 ALDH1A1 (0.77) ALDH1A1MAPK1TSHRLMNANPSR1
Benzene SCHEMBL7861838 0.83 MAPK1 (0.75) ALDH1A1MAPK1TSHRLMNANPSR1
SCHEMBL2008321 0.83 MAPK1 (0.75) ALDH1A1MAPK1TSHRLMNANPSR1
SCHEMBL11137490 0.83 ALDH1A1 (0.75) ALDH1A1MAPK1TSHRLMNANPSR1
SCHEMBL11135285 0.83 ALDH1A1 (0.75) ALDH1A1MAPK1TSHRLMNANPSR1
SCHEMBL7017531 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1TSHRLMNANPSR1
SCHEMBL7017529 0.82 ALDH1A1 (0.59) ALDH1A1MAPK1TSHRLMNANPSR1
SCHEMBL5547223 0.77 ALDH1A1 (0.69) ALDH1A1MAPK1TSHRLMNANPSR1

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
EP-1252150-B1 HETEROCYCLIC DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2003-06-04 EP claimed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 US claimed

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-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same CYP2F1, CYP11B2, CYP4B1 ALDH1A1 687/4885MAPK1 2074/4885TSHR 844/4885

“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.