SCHEMBL2384658

SCHEMBL2384658

CCOC(=O)c1ccc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
MAPK1 P28482 2/20 0.50
RECQL P46063 1/20 0.50
HTT P42858 2/20 0.47
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSP90AA1 P07900 2/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL2386873 0.85 MAPK1 (0.43) HPGDMAPK1HTTALDH1A1TSHR
SCHEMBL2388248 0.83 ALDH1A1 (0.50) HPGDMAPK1RECQLHTTALDH1A1
SCHEMBL2390136 0.83 ALDH1A1 (0.62) HPGDMAPK1RECQLHTTALDH1A1
SCHEMBL22015905 0.83 HPGD (0.65) HPGDMAPK1HTTALDH1A1TSHR
SCHEMBL20188098 0.83 HPGD (0.65) HPGDMAPK1HTTALDH1A1TSHR
SCHEMBL2386293 0.82 ALDH1A1 (0.60) HPGDMAPK1RECQLHTTALDH1A1
SCHEMBL2389173 0.81 HSD11B1 (0.52) HPGDMAPK1RECQLHTTALDH1A1
SCHEMBL2388214 0.81 ALDH1A1 (0.48) HPGDMAPK1RECQLHTTALDH1A1
SCHEMBL2386636 0.80 USP2 (0.51) HTTALDH1A1TSHRMEN1KMT2A
SCHEMBL20187714 0.79 HPGD (0.59) HPGDMAPK1HTTALDH1A1TSHR

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 9 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-2550258-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2015-08-19 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 HPGD 1466/4885MAPK1 2721/4885RECQL 3570/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HPGD 1466/4885MAPK1 2721/4885RECQL 3570/4885

“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.