SCHEMBL22140253

SCHEMBL22140253

CC(=O)Oc1cc(C#N)ccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.41
CFD P00746 2/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
USP2 O75604 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.37
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
HMGB1 P09429 1/20 0.37
GGT1 P19440 1/20 0.37
BLM P54132 1/20 0.37
NAPRT Q6XQN6 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NCEH1 Q6PIU2 2/20 0.36

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
SCHEMBL7067974 0.82 TSHR (0.53) CFDKDM4EALDH1A1TSHRNCEH1
SCHEMBL27001691 0.79 ACHE (0.54) TRPV4KDM4EALDH1A1TSHRNCEH1
SCHEMBL19995438 0.79 PIM1 (0.42) TRPV4CFDKDM4EALDH1A1TSHR
SCHEMBL12203357 0.78 AR (0.49) TRPV4HPGDARKIF11
SCHEMBL23614061 0.78 TNFSF11 (0.50) KDM4EALDH1A1USP2TSHRPTGS1
SCHEMBL11673708 0.78 TSHR (0.57) KDM4EALDH1A1USP2TSHRPTGS1
SCHEMBL6045218 0.77 MRGPRX4 (0.48) CFDKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5780141 0.76 MRGPRX4 (0.49) CFDKDM4EALDH1A1TSHRNCEH1
SCHEMBL22140329 0.76 CFD (0.41) CFDKDM4EALDH1A1HPGDHSD17B10
SCHEMBL22140268 0.76 KDM4E (0.43) CFDKDM4EALDH1A1HPGDHSD17B10

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-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

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-20200196600-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, PDXK, PLPBP TRPV4 3072/4885CFD 4234/4885KDM4E 791/4885
US-11000038-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, PDXK, PLPBP TRPV4 3072/4885CFD 4234/4885KDM4E 791/4885

“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.