SCHEMBL4113571

SCHEMBL4113571

COc1ccc(F)c(C(O)c2cc(Cl)ccc2-n2cccc2/C=C/C(=O)O)c1OC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HTR1A P08908 1/20 0.34
HTR2C P28335 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLA2G1B P04054 1/20 0.34
MAPT P10636 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MCL1 Q07820 1/20 0.34
CTSA P10619 1/20 0.34
TUBB1 Q9H4B7 2/20 0.33
KMT2A Q03164 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CXCL12 P48061 1/20 0.33

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
SCHEMBL4113581 1.00 KDM4E (0.34) KDM4EALDH1A1HPGDHSD17B10HTR1A
SCHEMBL13775729 0.92 NR1H4 (0.35) KDM4EALDH1A1SMN1; SMN2MAPTMCL1
SCHEMBL4112306 0.87 FDFT1 (0.41) KDM4EALDH1A1MAPT
SCHEMBL4112300 0.87 FDFT1 (0.41) KDM4EALDH1A1MAPT
SCHEMBL4110419 0.86 FDFT1 (0.34) CTSA
SCHEMBL4110425 0.86 FDFT1 (0.34) CTSA
SCHEMBL4130145 0.86 GAA (0.40) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL4130138 0.86 GAA (0.40) KDM4EALDH1A1HPGDHSD17B10ALOX15
SCHEMBL4133617 0.84 KDM4E (0.36) KDM4EPLA2G1BMAPTATG4B
SCHEMBL4133613 0.84 KDM4E (0.36) KDM4EPLA2G1BMAPTATG4B

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 KDM4E 2123/4885ALDH1A1 1587/4885HPGD 1028/4885

“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.