SCHEMBL4112003

SCHEMBL4112003

CO/C(C)=C/c1ccc(C=O)n1-c1ccc(Cl)cc1C(=O)c1cccc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
KCNMA1 Q12791 1/20 0.34
HIF1A Q16665 1/20 0.34
GAA P10253 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
SCHEMBL4112006 1.00 ALDH1A1 (0.39) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL13775474 0.92 FNTA (0.38) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL4117359 0.84 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL4117362 0.84 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL4118852 0.83 NFE2L2 (0.36) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL4118853 0.83 NFE2L2 (0.36) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL4125027 0.81 KDM4E (0.36) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL4123934 0.80 GAA (0.51) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL13775477 0.79 FNTA (0.38) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL4110749 0.77 GAA (0.39) GAA

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-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR ALDH1A1 1587/4885KDM4E 2123/4885NPC1 187/4885

“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.