SCHEMBL4154959

SCHEMBL4154959

COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1OCCN1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
POLB P06746 1/20 0.47
MCHR1 Q99705 7/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CACNA1F O60840 1/20 0.45
CACNA1D Q01668 1/20 0.45
CACNA1S Q13698 1/20 0.45
CACNA1C Q13936 1/20 0.45
KDM4E B2RXH2 1/20 0.43
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL722986 0.91 SYK (0.50) LTA4HPOLBCYP2D6KDM4EHTR2C
SCHEMBL723902 0.90 LTA4H (0.42) LTA4HCACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL2797649 0.85 TSHR (0.52) CYP1A2CYP2D6SMN1; SMN2KDM4EHTR2A
SCHEMBL3561000 0.85 LTA4H (0.50) LTA4HCYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL28672933 0.82 MEN1 (0.41) MCHR1CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL183050 0.81 CSF1R (0.41) POLBCYP2C19
SCHEMBL871366 0.80 LTA4H (0.54) LTA4HKDM4E
SCHEMBL20562815 0.80 MEN1 (0.42) POLB
SCHEMBL22265010 0.79 ACHE (0.48) CYP1A2CYP2D6CYP2C19HSD17B10SMN1; SMN2
SCHEMBL17427861 0.79 KDM4E (0.54) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2810937-B1 PYRIDONE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
US-8933103-B2 Pyridone derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-13 US disclosed
EP-2810937-A1 PYRIDONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-10 EP disclosed
US-20130281428-A1 Pyridone Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-10-24 US disclosed
WO-2009007390-A2 2-PYRAZ INYLBENZ IMIDAZOLE DERIVATIVES AS RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2009-01-15 WO 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-20130281428-A1 Pyridone Derivatives AXL, PDXK, TYRO3 LTA4H 3208/4885POLB 4369/4885MCHR1 923/4885

“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.