SCHEMBL21721045

SCHEMBL21721045

COc1nc(C(F)(F)F)c(C(C)(C)C)o1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
XBP1 P17861 1/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTT P42858 2/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL21721310 0.76 ABHD16A (0.31) KDM4E
SCHEMBL21719539 0.74 ELANE (0.31)
SCHEMBL21719558 0.74 KDM4E (0.32) TSHRKDM4ENPSR1XBP1HPGD
SCHEMBL21721316 0.74 ELANE (0.32) KDM4E
SCHEMBL21721308 0.74 KDM4E (0.31) KDM4E
SCHEMBL12281631 0.74 FBP1 (0.34)
SCHEMBL21721059 0.72 KDM4E (0.33) KDM4ENPSR1XBP1
SCHEMBL21721050 0.72 KDM4E (0.30) KDM4E
SCHEMBL21721061 0.72
SCHEMBL21721021 0.72 NOTUM (0.30) KDM4ENOTUM

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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK TSHR 2711/4885KDM4E 595/4885CYP1A2 6/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK TSHR 2711/4885KDM4E 595/4885CYP1A2 6/4885

“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.