SCHEMBL2387597

SCHEMBL2387597

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
PLA2G4B P0C869 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SCN9A Q15858 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.46
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PPARG P37231 1/20 0.45
FAAH O00519 1/20 0.45
CNR2 P34972 1/20 0.45
SRD5A2 P31213 1/20 0.45
RARB P10826 2/20 0.44
HTT P42858 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
SCHEMBL6437134 0.87 GAA (0.56) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL7732958 0.87 L3MBTL1 (0.57) ALDH1A1L3MBTL1SCN9AMEN1KMT2A
SCHEMBL420844 0.85 MEN1 (0.48) PKMALDH1A1SCN9AMEN1KMT2A
Hydrochloric Acid SCHEMBL9453210 0.84 MEN1 (0.47) PKMALDH1A1SCN9AMEN1KMT2A
SCHEMBL7732461 0.83 L3MBTL1 (0.53) ALDH1A1L3MBTL1SCN9AMEN1KMT2A
SCHEMBL2386670 0.82 PPARG (0.56) ALDH1A1MAPK1L3MBTL1SCN9AMEN1
SCHEMBL9622664 0.81 SRD5A2 (0.49) PKMALDH1A1SCN9AMEN1KMT2A
SCHEMBL16628134 0.81 KCNA3 (0.47) ALDH1A1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL7316087 0.79 P2RX7 (0.48) ALDH1A1SCN9AMEN1KMT2AEPHX2
SCHEMBL7737561 0.79 CA9 (0.52) ALDH1A1L3MBTL1SCN9AMEN1KMT2A

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 PKM 4645/4885ALDH1A1 4257/4885MAPK1 2721/4885
US-20110237553-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 PKM 4645/4885ALDH1A1 4257/4885MAPK1 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.