SCHEMBL19803340

SCHEMBL19803340

CCCCCCC(C)(C)c1cc(OC)c([C@@](C)(CCCC)CCCCCC)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 19/20 0.42
▸ CNR1 P21554 12/20 0.40
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ACAT1 P24752 1/20 0.36
▸ SOAT1 P35610 1/20 0.36

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
SCHEMBL20047608 0.81 CNR2 (0.38) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL19803244 0.77 CNR2 (0.42) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL20047666 0.72 CNR2 (0.45) CNR2CNR1
SCHEMBL20047612 0.72 CNR2 (0.45) CNR2CNR1
SCHEMBL18522956 0.72 CNR2 (0.39) CNR2CNR1
SCHEMBL21133964 0.71 CNR2 (0.33) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL18737434 0.71 CNR2 (0.41) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL20047623 0.70 CNR2 (0.36) CNR2CNR1KDM4ETP53CYP3A4
SCHEMBL23502537 0.69 CNR2 (0.34) CNR2CNR1KDM4ETSHR
SCHEMBL23502540 0.69 CNR2 (0.34) CNR2CNR1KDM4ETSHR

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-20180021316-A1 CHEMICAL COMPOUNDS ASTRAZENECA PHARMACEUTICALS LP 2018-01-25 — — 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-20180021316-A1 CHEMICAL COMPOUNDS MKI67, CCNI, TP53 CNR2 2552/4885CNR1 1692/4885KDM4E 2111/4885

“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.

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