SCHEMBL4177637

SCHEMBL4177637

C(=C/c1cnco1)\c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GRM4 Q14833 1/20 0.41
MAOB P27338 2/20 0.39
GRM5 P41594 1/20 0.39
NFE2L2 Q16236 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAOA P21397 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4177642 1.00 CYP11B1 (0.48) CYP11B1CYP11B2KMT2AMEN1GRM4
SCHEMBL6610070 0.81 GAA (0.47) CYP11B1KMT2AMEN1MAOBMAOA
SCHEMBL5779817 0.81 CYP19A1 (0.45) KMT2AMEN1MAOBCYP19A1MAOA
SCHEMBL6836180 0.81
SCHEMBL6610065 0.81 GAA (0.47) CYP11B1KMT2AMEN1MAOBMAOA
SCHEMBL5779809 0.81 CYP19A1 (0.45) KMT2AMEN1MAOBCYP19A1MAOA
SCHEMBL6605376 0.81
SCHEMBL5779146 0.77 APP (0.31)
SCHEMBL5777447 0.77 APP (0.31)
SCHEMBL5779824 0.74 MAPT (0.58) KMT2AMEN1CYP19A1ALDH1A1HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
US-20090186868-A1 Taxane Compound Having Azetidine Ring Structure DAIICHI SANKYO COMPANY LIMITED (JP) 2009-07-23 US disclosed
EP-1942109-A1 TAXANE COMPOUND WITH AZETIDINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2008-07-09 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-20090186868-A1 Taxane Compound Having Azetidine Ring Structure ABCC1, AZI2, TPD52L2 CYP11B1 1449/4885CYP11B2 1314/4885KMT2A 950/4885

“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.