SCHEMBL21719618

SCHEMBL21719618

CCCCCCC(C)(CCCCC)c1n[nH]cc1I

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.33
SMPD1 P17405 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ACAT1 P24752 1/20 0.30
SOAT1 P35610 1/20 0.30

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
SCHEMBL26850294 0.82 CNR2 (0.33) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21720048 0.82 CNR2 (0.33) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21720049 0.81 CCNB2 (0.33) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21719762 0.81 SMPD1 (0.30) SMPD1KDM4ETP53CYP3A4MAPT
SCHEMBL21719608 0.81 KDM4E (0.30) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21884282 0.79 CNR1 (0.35) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21720043 0.79 KDM4E (0.40) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL21969698 0.79
SCHEMBL21719647 0.77 GGPS1 (0.30) GGPS1
SCHEMBL21885502 0.76 ALDH1A1 (0.32) KDM4ETSHR

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 GGPS1 1200/4885SMPD1 2950/4885KDM4E 595/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GGPS1 1200/4885SMPD1 2950/4885KDM4E 595/4885

“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.