SCHEMBL4287936

SCHEMBL4287936

COC(=O)c1ccc(Cc2ccc(CCCO)cc2)c(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 5/20 0.67
CYP4F2 P78329 4/20 0.61
CCR6 P51684 1/20 0.51
HKDC1 Q2TB90 1/20 0.51
HPGD P15428 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
ALOX15 P16050 2/20 0.50
ALOX12 P18054 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CKS1B P61024 1/20 0.50
SKP2 Q13309 1/20 0.50
HIF1A Q16665 1/20 0.50
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49

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
SCHEMBL3996757 0.92 CYP4A11 (0.55) CYP4A11CYP4F2CCR6HKDC1HPGD
SCHEMBL4003913 0.85 CA1 (0.56) CYP4A11CCR6HKDC1HPGDALDH1A1
SCHEMBL4281255 0.83 CA1 (0.54) CYP4A11CCR6HKDC1HPGDALDH1A1
SCHEMBL4009836 0.82 CA1 (0.56) CCR6HKDC1HPGDALDH1A1TP53
SCHEMBL6815303 0.82 LMNA (0.58) CYP4A11CYP4F2HPGDCA12CA1
SCHEMBL2654777 0.81 CYP4A11 (1.00) CYP4A11CYP4F2CCR6HKDC1HPGD
SCHEMBL4280831 0.80 CA12 (0.50) CYP4A11CCR6HKDC1HPGDALDH1A1
SCHEMBL27490638 0.78 CYP4A11 (0.54) CYP4A11CYP4F2CCR6HKDC1HPGD
SCHEMBL4000249 0.77 MAPT (0.52) CCR6HKDC1HPGDALDH1A1TP53
SCHEMBL1628660 0.77 CYP4A11 (1.00) CYP4A11CYP4F2CCR6HKDC1HPGD

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-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-05-28 US disclosed
EP-2048150-A1 BENZYL PHENYL GLUCOPYRANOSIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-04-15 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-20090137499-A1 BENZYLPHENYL GLUCOPYRANOSIDE DERIVATIVE SLC5A1, SLC5A2, SLC2A1 CYP4A11 512/4885CYP4F2 531/4885CCR6 1025/4885

“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.