SCHEMBL2384645

SCHEMBL2384645

CCOC(=O)c1ccc(N2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
EPHX1 P07099 3/20 0.49
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
CNR2 P34972 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSP90AA1 P07900 1/20 0.46
KMT2A Q03164 3/20 0.45
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL2390198 0.83 EPHX1 (0.53) EPHX2EPHX1ALDH1A1LMNAKMT2A
SCHEMBL378108 0.82 MEN1 (0.50) HPGDALDH1A1SMN1; SMN2LMNANPSR1
SCHEMBL2390136 0.80 ALDH1A1 (0.62) HPGDMAPK1RECQLALDH1A1SMN1; SMN2
SCHEMBL2386293 0.79 ALDH1A1 (0.60) HPGDMAPK1RECQLCNR2ALDH1A1
SCHEMBL377924 0.78 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2LMNANPSR1KMT2A
SCHEMBL2384658 0.78 HPGD (0.50) EPHX2HPGDMAPK1RECQLALDH1A1
Hydrochloric Acid SCHEMBL2514818 0.77 MEN1 (0.50) HPGDMAPK1ALDH1A1SMN1; SMN2LMNA
SCHEMBL381643 0.77 CKS1B (0.48) HPGDCNR2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL2388248 0.76 ALDH1A1 (0.50) EPHX2HPGDMAPK1RECQLALDH1A1
SCHEMBL3457437 0.75 HPGD (0.55) HPGDALDH1A1SMN1; SMN2LMNANPSR1

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 8 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
EP-2550258-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-01-30 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
WO-2011119345-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-09-29 WO 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 EPHX2 3825/4885EPHX1 3977/4885HPGD 1466/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 EPHX2 3825/4885EPHX1 3977/4885HPGD 1466/4885

“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.