SCHEMBL2881295

SCHEMBL2881295

COC(=O)c1ccc(CCn2ccc(O)cc2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
ALOX12 P18054 1/20 0.53
CKS1B P61024 1/20 0.53
SKP2 Q13309 1/20 0.53
HIF1A Q16665 1/20 0.53
HSD17B10 Q99714 1/20 0.53
IDH1 O75874 1/20 0.48
CYP4A11 Q02928 2/20 0.48
KDM4E B2RXH2 1/20 0.47
CYP4F2 P78329 1/20 0.47
CCR6 P51684 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
CA1 P00915 3/20 0.45

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
SCHEMBL461108 0.86 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2881368 0.81 MCHR1 (0.67) MCHR1
SCHEMBL19746259 0.80 KDM4E (0.60) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL2876401 0.79 MCHR1 (0.54) MCHR1
SCHEMBL1426221 0.78 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL1365580 0.77 MCHR1 (0.42) CYP1A2CYP3A4CYP2C9CYP2C19MCHR1
SCHEMBL2946109 0.75 CA1 (0.53) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL8662716 0.73 CA1 (0.77) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL70185 0.73 CYP4A11 (0.75) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL5005631 0.72 ACACB (0.44) ALDH1A1HSD17B10MCHR1SMN1; SMN2

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-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 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-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R CYP1A2 180/4885CYP3A4 524/4885CYP2C9 958/4885

“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.