SCHEMBL2386670

SCHEMBL2386670

CCOC(=O)c1ccc(OCCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.56
HPGD P15428 2/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EPHX2 P34913 1/20 0.50
KCNH2 Q12809 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
HSP90AA1 P07900 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TBXAS1 P24557 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SCN9A Q15858 1/20 0.45
CNR2 P34972 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44

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
Ethylparaben SCHEMBL2430544 0.95 HSP90AA1 (0.55) PPARGHPGDMAPK1RECQLTDP1
SCHEMBL7732958 0.84 L3MBTL1 (0.57) PPARGL3MBTL1EPHX2ALDH1A1MAPT
SCHEMBL2387597 0.82 PKM (0.53) PPARGMAPK1L3MBTL1EPHX2ALDH1A1
SCHEMBL7732461 0.81 L3MBTL1 (0.53) PPARGL3MBTL1EPHX2ALDH1A1MAPT
SCHEMBL6437134 0.79 GAA (0.56) PPARGMAPK1L3MBTL1EPHX2ALDH1A1
SCHEMBL21900500 0.79 ALDH1A1 (0.46) PPARGL3MBTL1EPHX2ALDH1A1MEN1
SCHEMBL6701399 0.79 TDP1 (0.74) HPGDTDP1L3MBTL1KCNH2HRH3
SCHEMBL2384475 0.76 HPGD (0.64) HPGDMAPK1RECQLTDP1L3MBTL1
SCHEMBL6776708 0.76 TDP1 (0.62) TDP1L3MBTL1KCNH2HRH3ALDH1A1
SCHEMBL7737561 0.76 CA9 (0.52) PPARGTDP1L3MBTL1EPHX2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957558-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2015-12-23 EP disclosed
EP-2757105-A1 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases Abbvie Inc. (US) 2014-07-23 EP disclosed
US-8343967-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2013-01-01 US disclosed
US-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC. 2012-08-23 US disclosed
US-8188077-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-05-29 US disclosed
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 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 (2 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-20120214796-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 PPARG 575/4885HPGD 1466/4885MAPK1 2721/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 PPARG 575/4885HPGD 1466/4885MAPK1 2721/4885

“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.