SCHEMBL4117136

SCHEMBL4117136

CCOC(=O)CC1OC(c2cccc(OCC)c2OCC)c2cc(Cl)ccc2NC1=S

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FDFT1 P37268 6/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL13775844 1.00 ALDH1A1 (0.38) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL4123701 0.95 FDFT1 (0.43) FDFT1
SCHEMBL13775840 0.95 FDFT1 (0.43) FDFT1
SCHEMBL13775842 0.91 KDM4E (0.40) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL4122140 0.91 KDM4E (0.40) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL4117758 0.90 FDFT1 (0.47) FDFT1
SCHEMBL4124571 0.90 FDFT1 (0.47) FDFT1
SCHEMBL13775500 0.90 FDFT1 (0.47) FDFT1
SCHEMBL4124565 0.90 FDFT1 (0.47) FDFT1
SCHEMBL4125185 0.87 FDFT1 (0.39) ALDH1A1FDFT1MEN1MAPTPKM

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.