SCHEMBL10183552

SCHEMBL10183552

COc1cc(C(F)(F)F)ccc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
HTR2A P28223 3/20 0.42
LRRK2 Q5S007 1/20 0.41
KIF11 P52732 1/20 0.41
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CES2 O00748 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL2957161 0.86 HPGD (0.48) HPGDALOX15LMNATP53CYP3A4
SCHEMBL9885329 0.85 L3MBTL1 (0.46) HPGDALOX15LMNATP53CYP3A4
SCHEMBL13073510 0.85 HTR2A (0.43) PDE2AHPGDALOX15LMNATP53
SCHEMBL22140264 0.82 PDE2A (0.41) PDE2ALMNAL3MBTL1RAB9AHTR2A
SCHEMBL10183556 0.80 CYP2C19 (0.49) PDE2AHPGDLMNACYP3A4L3MBTL1
SCHEMBL10451549 0.79 MEN1 (0.53) HPGDALOX15LMNACYP3A4L3MBTL1
SCHEMBL20441362 0.79 CNR2 (0.43) HPGDALOX15LMNATP53CYP3A4
SCHEMBL26780223 0.78 LMNA (0.42) HPGDALOX15LMNATP53CYP3A4
SCHEMBL10183560 0.78 L3MBTL1 (0.41) LMNAL3MBTL1MAPTKDM4EALDH1A1
SCHEMBL19170782 0.77 KIF11 (0.47) PDE2ACYP3A4KIF11CES2MEN1

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-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-05-11 US disclosed
US-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-06-25 US disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 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 (3 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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP PDE2A 1075/4885HPGD 1087/4885ALOX15 1167/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF PDE2A 3354/4885HPGD 2536/4885ALOX15 3361/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP PDE2A 1075/4885HPGD 1087/4885ALOX15 1167/4885

“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.