SCHEMBL2389173

SCHEMBL2389173

CCOC(=O)c1ccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
BPTF Q12830 1/20 0.48
ALDH1A1 P00352 5/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 3/20 0.48
MAPK1 P28482 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RECQL P46063 1/20 0.47
GAA P10253 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 2/20 0.46
CETP P11597 2/20 0.44
HTT P42858 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL2390136 0.84 ALDH1A1 (0.62) HSD11B1ALDH1A1LMNAHPGDMAPK1
SCHEMBL2388248 0.84 ALDH1A1 (0.50) ALDH1A1LMNAHPGDMAPK1MAPT
SCHEMBL2386234 0.83 BPTF (0.55) HSD11B1BPTFALDH1A1LMNAHPGD
SCHEMBL2388214 0.82 ALDH1A1 (0.48) ALDH1A1HPGDMAPK1NPSR1RECQL
SCHEMBL2384658 0.81 HPGD (0.50) ALDH1A1LMNAHPGDMAPK1MAPT
SCHEMBL3322509 0.80 AKR1C3 (0.59) HSD11B1BPTFALDH1A1MAPTSMN1; SMN2
SCHEMBL20188098 0.79 HPGD (0.65) ALDH1A1LMNAHPGDMAPK1MAPT
SCHEMBL22015905 0.79 HPGD (0.65) ALDH1A1LMNAHPGDMAPK1MAPT
SCHEMBL2386293 0.79 ALDH1A1 (0.60) ALDH1A1LMNAHPGDMAPK1MAPT
SCHEMBL8703730 0.78 MAPT (0.73) ALDH1A1LMNAHPGDMAPK1MAPT

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 HSD11B1 4012/4885BPTF 1264/4885ALDH1A1 4257/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 HSD11B1 4012/4885BPTF 1264/4885ALDH1A1 4257/4885

“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.