SCHEMBL20969503

SCHEMBL20969503

O=C1CCC[C@@H]2CCCC(=O)C2C1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.34
MT-CO2 P00403 2/20 0.34
ALOX5 P09917 2/20 0.34
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL20969188 1.00 MAPT (0.35) MAPTTHRBMT-CO2ALOX5TRIM24
SCHEMBL27174143 0.93 MT-CO2 (0.33) MAPTTHRBMT-CO2ALOX5CA1
SCHEMBL27174124 0.86 MT-CO2 (0.34) MT-CO2ALOX5CA1CA2CA4
SCHEMBL27174116 0.80 MT-CO2 (0.33) MAPTTHRBMT-CO2ALOX5CA1
SCHEMBL4740702 0.78 CA1 (0.37) MAPTMT-CO2ALOX5CA1CA2
SCHEMBL22397285 0.78 CA1 (0.42) MAPTMT-CO2ALOX5CA1CA2
SCHEMBL12333841 0.78 CA1 (0.42) MAPTMT-CO2ALOX5CA1CA2
SCHEMBL895510 0.78 CA1 (0.42) MAPTMT-CO2ALOX5CA1CA2
SCHEMBL120444 0.78 CA1 (0.42) MAPTMT-CO2ALOX5CA1CA2
SCHEMBL11955 0.78 CA1 (0.42) MAPTMT-CO2ALOX5CA1CA2

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 MAPT 4535/4885THRB 4376/4885MT-CO2 2512/4885

“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.