SCHEMBL20969080

SCHEMBL20969080

O=C1CCC[C@H]2CC[C@@H]3CCCC(=O)[C@@H]3[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
KMT2A Q03164 2/20 0.37
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.31
TLR4 O00206 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL20969085 1.00 CA1 (0.39) CA1CA2CA4KMT2ANOS1
SCHEMBL15463086 1.00 CA1 (0.39) CA1CA2CA4KMT2ANOS1
SCHEMBL3427906 0.85 KMT2A (0.34) CA1CA2CA4KMT2AMEN1
SCHEMBL22862061 0.84 CA1 (0.37) CA1CA2CA4KMT2ANOS1
SCHEMBL9409590 0.82 CA1 (0.34) CA1CA2CA4KMT2A
SCHEMBL20969056 0.82 CA1 (0.30) CA1
SCHEMBL20969082 0.80 CA1 (0.33) CA1CA2CA4KMT2ATLR4
SCHEMBL15463085 0.79 CA1 (0.41) CA1CA2CA4KMT2ANOS1
SCHEMBL29361207 0.79
SCHEMBL13497137 0.74 MEN1 (0.35) KMT2AMEN1TLR4ALDH1A1

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-20190127306-A1 POLYCYCLIC CARBOGENIC MOLECULES AND USES THEREOF AS ANTI-CANCER AGENTS NORTHWESTERN UNIVERSITY (US) 2019-05-02 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-20190127306-A1 POLYCYCLIC CARBOGENIC MOLECULES AND USES THEREOF AS ANTI-CANCER AGENTS MYC, CDK4, CDKL3 CA1 1225/4885CA2 1542/4885CA4 474/4885

“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.