SCHEMBL21719409

SCHEMBL21719409

Bc1cc(C(C)(C)C)[nH]n1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.36
ATM Q13315 1/20 0.36
MAPK14 Q16539 1/20 0.32
STK25 O00506 2/20 0.31
DAO P14920 1/20 0.31
IGF1R P08069 1/20 0.30
GPR39 O43194 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21614018 0.76 ALOX15 (0.42) ATMSMN1; SMN2
SCHEMBL10065610 0.75 GFER (0.37) GFERATMMAPK14STK25DAO
SCHEMBL20681841 0.71 MAPK14 (0.38) GFERATMMAPK14STK25DAO
SCHEMBL28959340 0.71 HPGD (0.44) GFERATMMAPK14STK25DAO
SCHEMBL28965148 0.71 HPGD (0.44) GFERATMMAPK14STK25DAO
SCHEMBL21719718 0.71 KDM5B (0.33) GFERATMMAPK14STK25DAO
SCHEMBL21719245 0.71 ATM (0.39) GFERATMMAPK14STK25DAO
SCHEMBL923978 0.71 ALDH1A1 (0.48) GFERATMMAPK14DAOMEN1
SCHEMBL1120183 0.68 HPGD (0.34) GFERATMMAPK14STK25SMN1; SMN2
SCHEMBL21719711 0.68 GFER (0.34) GFERATMMAPK14STK25SMN1; SMN2

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 GFER 788/4885ATM 3458/4885MAPK14 2125/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GFER 788/4885ATM 3458/4885MAPK14 2125/4885

“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.