SCHEMBL13304136

SCHEMBL13304136

COCOc1ccc(C(=O)C(C)(C)C(=O)OC)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
MAPK1 P28482 1/20 0.46
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
TPMT P51580 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
PRSS1 P07477 4/20 0.43
EGFR P00533 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
SCHEMBL184474 0.87 TSHR (0.58) TSHRMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL184365 0.82 TSHR (0.54) TSHRMAPK1KMT2ATP53HPGD
SCHEMBL13354122 0.81 TSHR (0.47) TSHRMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL18456830 0.80 MAPT (0.64) TSHRMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL6568030 0.78 TSHR (0.73) TSHRMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL2848020 0.78 KMT2A (0.61) TSHRMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL13304118 0.77 LMNA (0.44) TSHRMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL13304097 0.77 HTT (0.59) TSHRMAPK1CYP1A2CYP3A4CYP2C9
SCHEMBL184249 0.77 SMPD1 (0.66) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL22386748 0.76 TSHR (0.50) TSHRMAPK1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US 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 (2 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A TSHR 2842/4885MAPK1 1160/4885CYP1A2 80/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A TSHR 2736/4885MAPK1 836/4885CYP1A2 65/4885

“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.