SCHEMBL20969489

SCHEMBL20969489

C=CC(=O)CC1C(=O)C(C)=CCC1C(=C)C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TGFBR1 P36897 1/20 0.38
TSHR P16473 1/20 0.32
TRPA1 O75762 1/20 0.31
NFE2L2 Q16236 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
SCHEMBL20969493 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATGFBR1TSHR
SCHEMBL30597491 0.73 MEN1 (0.49) ALDH1A1MEN1KMT2ATGFBR1TSHR
SCHEMBL7666958 0.72 MEN1 (0.47) ALDH1A1MEN1KMT2ATGFBR1TSHR
SCHEMBL5683303 0.72 MEN1 (0.47) ALDH1A1MEN1KMT2ATGFBR1TSHR
SCHEMBL21673038 0.72 MEN1 (0.47) ALDH1A1MEN1KMT2ATGFBR1TSHR
SCHEMBL1244477 0.72 MEN1 (0.47) ALDH1A1MEN1KMT2ATGFBR1TSHR
SCHEMBL7700637 0.70 TSHR (0.40) ALDH1A1MEN1KMT2ATGFBR1TSHR
SCHEMBL20969207 0.70 MEN1 (0.40) ALDH1A1MEN1KMT2ATGFBR1NFE2L2
SCHEMBL8330697 0.68 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATGFBR1TSHR
SCHEMBL20969197 0.64 TGFBR1 (0.33) ALDH1A1MEN1KMT2ATGFBR1

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 ALDH1A1 2424/4885MEN1 1952/4885KMT2A 2265/4885

“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.