SCHEMBL5683303

SCHEMBL5683303

C=C(C)C1CC=C(C)C(=O)C1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
TGFBR1 P36897 1/20 0.44
LMNA P02545 2/20 0.34
TSHR P16473 3/20 0.33
NFE2L2 Q16236 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.32
PTPN11 Q06124 1/20 0.31
POLE3 Q9NRF9 1/20 0.31
TRPA1 O75762 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
SCHEMBL7666958 1.00 MEN1 (0.47) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL30597491 0.83 MEN1 (0.49) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL1244477 0.81 MEN1 (0.47) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL21673038 0.81 MEN1 (0.47) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL8330697 0.74 ALDH1A1 (0.41) MEN1ALDH1A1KMT2ATGFBR1LMNA
SCHEMBL20969207 0.73 MEN1 (0.40) MEN1ALDH1A1KMT2ATGFBR1NFE2L2
SCHEMBL7700637 0.73 TSHR (0.40) MEN1ALDH1A1KMT2ATGFBR1TSHR
SCHEMBL20969489 0.72 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ATGFBR1TSHR
SCHEMBL20969493 0.72 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ATGFBR1TSHR
SCHEMBL32678441 0.71 PTPN11 (0.36) MEN1ALDH1A1KMT2APTPN11POLE3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620381-A1 HYDROANTHRACENE BASED COMPOUNDS AS ANTICANCER AGENTS Dabur Research Foundation (IN) 2006-02-01 EP disclosed
US-6949557-B2 Hydroanthracene based compounds as anticancer agents DABUR RESEARCH FOUNDATION (IN) 2005-09-27 US disclosed
WO-2004096742-A1 HYDROANTHRACENE BASED COMPOUNDS AS ANTICANCER AGENTS DABUR RESEARCH FOUNDATION (IN) 2004-11-11 WO disclosed
US-20040220197-A1 Hydroanthracene based compounds as anticancer agents DABUR RESEARCH FOUNDATION 2004-11-04 US disclosed
US-6051590-A USEFUL AS POTASSIUM CHANNEL INHIBITORS TO TREAT AUTOIMMUNE DISORDERS MERCK & CO., INC. (US) 2000-04-18 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-20040220197-A1 Hydroanthracene based compounds as anticancer agents MCL1, TP53, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MEN1 463/4885ALDH1A1 1238/4885KMT2A 2461/4885

“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.