SCHEMBL4942582

SCHEMBL4942582

COC(=O)CCCC1CC1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
EPHX2 P34913 4/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
GLA P06280 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM5A P29375 1/20 0.40
KDM7A Q6ZMT4 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
PHF8 Q9UPP1 1/20 0.40
KDM2A Q9Y2K7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL8885696 0.92 TSHR (0.54) TSHREPHX2ALDH1A1KDM5AKDM4C
SCHEMBL11858995 0.92 TSHR (0.54) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL11695325 0.92 TSHR (0.54) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL11695993 0.92 TSHR (0.54) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL11692421 0.92 TSHR (0.54) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL11694216 0.92 TSHR (0.54) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL560936 0.90 EPHX2 (0.53) TSHREPHX2ALDH1A1KDM5AKDM4C
SCHEMBL1049762 0.88 TSHR (0.45) TSHREPHX2LMNAALDH1A1RECQL
SCHEMBL381520 0.87 TSHR (0.48) TSHREPHX2
SCHEMBL30258499 0.87 TSHR (0.48) TSHREPHX2LMNAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PALANI ANANDAN 2011-06-23 US disclosed
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF PALANI ANANDAN 2011-06-23 US disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 US disclosed
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2010-09-09 US disclosed
US-7750015-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-07-06 US disclosed
US-7750015-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-07-06 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
US-7737155-B2 Nitrogen-containing heterocyclic compounds and methods of use thereof SCHERING CORPORATION (US) 2010-06-15 US disclosed
US-7419999-B2 Gamma lactams as prostaglandin agonists and use thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-09-02 US disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 US disclosed
US-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF SCHERING CORPORATION 2008-01-24 US disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
EP-1556347-A4 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS (AN) 2006-08-09 EP disclosed
US-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-12-29 US disclosed
EP-1556347-A2 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2005-07-27 EP disclosed
WO-2003103604-A2 GAMMA LACTAMS AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V (AN) 2003-12-18 WO 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 (5 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-20080019978-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 TSHR 3516/4885EPHX2 964/4885LMNA 440/4885
US-20070066630-A1 Nitrogen-containing heterocyclic compounds and methods of use thereof CYP11B2, CYP11B1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TSHR 3520/4885EPHX2 1080/4885LMNA 415/4885
US-20050288357-A1 Gamma lactams as prostaglandin agonists and use thereof PGF, HPGDS, PTGIS TSHR 2081/4885EPHX2 1421/4885LMNA 1060/4885
US-20110152259-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 TSHR 3516/4885EPHX2 964/4885LMNA 440/4885
US-20100227873-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B1 TSHR 3516/4885EPHX2 964/4885LMNA 440/4885

“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.