SCHEMBL21721701

SCHEMBL21721701

Bc1cc(C(C)(C)C)nn1CC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.37
SORT1 Q99523 5/20 0.37
CNR1 P21554 5/20 0.37
CNR2 P34972 5/20 0.37
KDM4E B2RXH2 2/20 0.34
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL13790795 0.78 LMNA (0.39) GRNSORT1CNR1CNR2KDM4E
SCHEMBL15069883 0.78 GRN (0.38) GRNSORT1CNR1CNR2KDM4E
SCHEMBL21721485 0.76 GRN (0.37) GRNSORT1CNR1CNR2KDM4E
SCHEMBL21721482 0.76 GRN (0.42) GRNSORT1CNR1CNR2KDM4E
SCHEMBL12951482 0.76 GRN (0.37) GRNSORT1CNR1CNR2KDM4E
SCHEMBL23402761 0.76 GRN (0.44) GRNSORT1CNR1CNR2KDM4E
SCHEMBL21721429 0.76 ALDH1A1 (0.38) GRNSORT1CNR1CNR2KDM4E
SCHEMBL3843249 0.76 KDM4E (0.46) GRNSORT1CNR1CNR2KDM4E
SCHEMBL21848996 0.73 GRN (0.36) GRNSORT1CNR1CNR2KDM4E
SCHEMBL9906363 0.73 GRN (0.39) GRNSORT1CNR1CNR2KDM4E

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 GRN 2880/4885SORT1 3375/4885CNR1 1509/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK GRN 2880/4885SORT1 3375/4885CNR1 1509/4885

“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.