SCHEMBL22778677

SCHEMBL22778677

CCCCCCCC(C)(CCCC)c1cncc(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACAT1 P24752 1/20 0.39
SOAT1 P35610 1/20 0.39
CNR2 P34972 14/20 0.38
CNR1 P21554 11/20 0.38
TRPV1 Q8NER1 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL20927024 0.90 CHRNB2 (0.33) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL19139244 0.83 CNR2 (0.40) CNR2CNR1TRPV1
SCHEMBL19633847 0.83 CNR2 (0.38) CNR2CNR1
SCHEMBL19633737 0.83 CNR2 (0.38) CNR2CNR1
SCHEMBL23142669 0.81 CNR2 (0.37) CNR2CNR1
SCHEMBL22752268 0.80 CYP11B1 (0.34) CYP3A4
SCHEMBL19251089 0.76 CHRNB2 (0.39) CYP3A4CNR2CNR1
SCHEMBL18852713 0.76 CNR2 (0.37) CNR2CNR1
SCHEMBL18721019 0.76 CNR2 (0.37) CNR2CNR1
SCHEMBL20313082 0.76 CNR2 (0.54) KDM4ETP53CYP3A4MAPTALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 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 (1 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-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2335/4885TP53 1665/4885CYP3A4 108/4885

“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.