SCHEMBL6707040

SCHEMBL6707040

CC(=O)NCCC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.56
SIGMAR1 Q99720 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
BCHE P06276 2/20 0.44
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
LDLR P01130 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
SCHEMBL8392277 0.98 EPHX1 (0.59) EPHX1SIGMAR1NPC1RAB9AL3MBTL1
SCHEMBL931424 0.98 EPHX1 (0.59) EPHX1SIGMAR1NPC1RAB9AL3MBTL1
SCHEMBL8392768 0.96 EPHX1 (0.52) EPHX1SIGMAR1NPC1RAB9AL3MBTL1
SCHEMBL5392965 0.91
SCHEMBL8395918 0.88 KDM4E (0.52) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL8392406 0.86 KDM4E (0.50) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL8392716 0.86 KDM4E (0.50) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL19731592 0.84 SIGMAR1 (0.56) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL8392313 0.83 KDM4E (0.52) EPHX1SIGMAR1KDM4EMAPK1HIF1A
SCHEMBL2091382 0.83 KDM4E (0.41) EPHX1SIGMAR1KDM4EMAPK1HIF1A

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
US-20040242886-A1 Monocyclic diazodioxide based Bcl-2 protein antagonists related applications RICERCA BIOSCIENCES, LLC. 2004-12-02 US claimed
WO-2004099158-A1 MONOCYCLIC DIAZODIOXIDE BASED BCL-2 PROTEIN ANTAGONISTS RICERCA BIOSCIENCES, LLC. (US) 2004-11-18 WO claimed
US-20210309882-A1 COATING COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2021-10-07 US disclosed
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
US-20040242886-A1 Monocyclic diazodioxide based Bcl-2 protein antagonists related applications RICERCA BIOSCIENCES, LLC. 2004-12-02 US disclosed
WO-2004099158-A1 MONOCYCLIC DIAZODIOXIDE BASED BCL-2 PROTEIN ANTAGONISTS RICERCA BIOSCIENCES, LLC. (US) 2004-11-18 WO disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 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-20040242886-A1 Monocyclic diazodioxide based Bcl-2 protein antagonists related applications BCL2A1, BCL2, BCL2L10 EPHX1 4754/4885SIGMAR1 3097/4885NPC1 4513/4885
US-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 EPHX1 563/4885SIGMAR1 452/4885NPC1 153/4885

“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.