SCHEMBL13304117

SCHEMBL13304117

COC(=O)C(C)(C)C(O)c1ccc(F)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ BACE1 P56817 2/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ CYP26A1 O43174 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ UGCG Q16739 1/20 0.37

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
SCHEMBL13448250 0.84 CYP26A1 (0.37) CYP26A1
SCHEMBL13304135 0.79 FDPS (0.46) NPSR1ACHE
SCHEMBL13885076 0.79 TSHR (0.39) BLMNPSR1TSHRACHE
SCHEMBL13304104 0.78 TAS1R3 (0.36) —
SCHEMBL4284433 0.75 ESR1 (0.44) BLMNPSR1CYP26A1
SCHEMBL25705090 0.74 TSHR (0.43) BLMNPSR1TSHRACHE
SCHEMBL6393724 0.74 CES2 (0.45) CYP26A1
SCHEMBL4278598 0.73 ADRB2 (0.40) NPSR1CYP26A1
SCHEMBL2844383 0.73 KDM4E (0.34) BLMNPSR1TSHRCYP26A1ACHE
SCHEMBL1240000 0.73 TSHR (0.42) BLMNPSR1TSHR

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-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
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 BLM 1045/4885NPSR1 1783/4885TSHR 2842/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A BLM 919/4885NPSR1 2619/4885TSHR 2736/4885

“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.

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