SCHEMBL4124318

SCHEMBL4124318

COc1cccc(C(=O)c2cc(Cl)ccc2-n2c(C=CC(=O)O)nc(Cl)c2Cl)c1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
CYP3A4 P08684 1/20 0.36
NFE2L2 Q16236 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HTR1A P08908 1/20 0.34
HPGD P15428 1/20 0.34
HTR2C P28335 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TUBB4A P04350 2/20 0.34
TUBB P07437 2/20 0.34
TUBA3C P0DPH7 2/20 0.34
TUBA1B P68363 2/20 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
SCHEMBL4124313 1.00 KDM4E (0.37) KDM4ECYP3A4NFE2L2HCRTR1HCRTR2
SCHEMBL13775493 0.89 L3MBTL1 (0.37) KDM4ECYP3A4HCRTR1HCRTR2TP53
SCHEMBL4112572 0.89 HCRTR1 (0.37) KDM4EHCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL4110971 0.82 KMT2A (0.33) KDM4EHCRTR1HCRTR2ALDH1A1HSD17B10
SCHEMBL4122700 0.79 NFE2L2 (0.38) KDM4ENFE2L2ALDH1A1HTR1AHPGD
SCHEMBL4122696 0.79 NFE2L2 (0.38) KDM4ENFE2L2ALDH1A1HTR1AHPGD
SCHEMBL4124239 0.78 HCRTR1 (0.38) KDM4EHCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL4111361 0.77 HCRTR1 (0.38) KDM4EHCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL4118412 0.76 HPGD (0.41) KDM4EHCRTR1HCRTR2ALDH1A1HPGD
SCHEMBL13775802 0.75 KMT2A (0.40) KDM4EHCRTR1HCRTR2TP53ALDH1A1

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 2123/4885CYP3A4 1692/4885NFE2L2 2491/4885

“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.