SCHEMBL6476191

SCHEMBL6476191

COC(=O)/C=C/c1ccc(OCCn2c(=O)oc3cc(C(=O)c4ccccc4)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
MET P08581 2/20 0.46
PPARG P37231 1/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ASAH1 Q13510 2/20 0.43
KDM1A O60341 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL6476194 1.00 SIGMAR1 (0.55) SIGMAR1ALDH1A1HPGDMETPPARG
SCHEMBL7023922 0.91 SIGMAR1 (0.56) SIGMAR1ALDH1A1HPGDMETPPARG
SCHEMBL7023926 0.91 SIGMAR1 (0.56) SIGMAR1ALDH1A1HPGDMETPPARG
SCHEMBL6487606 0.86 SIGMAR1 (0.59) SIGMAR1ALDH1A1HPGDMETPPARG
SCHEMBL6477456 0.86 SIGMAR1 (0.55) SIGMAR1ALDH1A1HPGDMETPPARG
SCHEMBL6477711 0.84 SIGMAR1 (0.56) SIGMAR1ALDH1A1HPGDMETPPARG
SCHEMBL6483931 0.82 PPARG (0.68) SIGMAR1ALDH1A1PPARGRAB9ATSHR
SCHEMBL6483928 0.82 PPARG (0.68) SIGMAR1ALDH1A1PPARGRAB9ATSHR
SCHEMBL6476841 0.81 SIGMAR1 (0.56) SIGMAR1ALDH1A1HPGDMETPPARG
SCHEMBL6483665 0.81 PPARG (0.70) SIGMAR1ALDH1A1HPGDMETPPARG

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-6919362-B2 Heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2005-07-19 US disclosed
US-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2003-02-27 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-20030040533-A1 Novel heterocyclic derivatives, preparation method and pharmaceutical compositions containing same CYP2F1, CYP11B2, CYP4B1 SIGMAR1 153/4885ALDH1A1 687/4885HPGD 138/4885

“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.