SCHEMBL6159955

SCHEMBL6159955

O=C(O)CCC1C2CC3CC(C2)CC1C3

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.61
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.35
SUCNR1 Q9BXA5 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 3/20 0.33
ALOX5 P09917 1/20 0.33
HSD17B10 Q99714 1/20 0.32
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL3901434 0.87 HSD11B1 (0.57) HSD11B1L3MBTL1LMNACYP2C9EPHX2
SCHEMBL3902542 0.85 HSD11B1 (0.55) HSD11B1L3MBTL1LMNACYP2C9EPHX2
SCHEMBL10761559 0.84 HSD11B1 (0.53) HSD11B1L3MBTL1LMNACYP2C9EPHX2
SCHEMBL11030817 0.84 HSD11B1 (0.53) HSD11B1L3MBTL1LMNACYP2C9EPHX2
SCHEMBL10757417 0.84 HSD11B1 (0.53) HSD11B1L3MBTL1LMNACYP2C9EPHX2
SCHEMBL10756960 0.84 HSD11B1 (0.53) HSD11B1L3MBTL1LMNACYP2C9EPHX2
SCHEMBL660425 0.80 HSD11B1 (0.48) HSD11B1L3MBTL1CYP2C9EPHX2HSD17B10
SCHEMBL1787432 0.76 HSD11B1 (1.00) HSD11B1L3MBTL1CYP2C9EPHX2HSD17B10
SCHEMBL2093413 0.74 HSD11B1 (0.47) HSD11B1L3MBTL1CYP2C9EPHX2HSD17B10
SCHEMBL9742313 0.72 HSD11B1 (0.41) HSD11B1L3MBTL1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 US disclosed
US-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS SANNA PIETRO PAOLO (US) 2017-08-17 US disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP disclosed
US-5128448-A Peptide hormones HOFFMAN-LA ROCHE INC. (US) 1992-07-07 US disclosed
EP-0119359-B1 ADAMANTYL CARBOXYLIC AND SULFONIC ACID CATALYZED PARAFFIN-OLEFIN ALKYLATION AND PARAFFIN ISOMERIZATION EXXON RESEARCH AND ENGINEERING COMPANY (US) 1987-06-10 EP disclosed
EP-0119359-A1 Adamantyl carboxylic and sulfonic acid catalyzed paraffin-olefin alkylation and paraffin isomerization EXXON RESEARCH AND ENGINEERING COMPANY (US) 1984-09-26 EP disclosed
US-4426545-A Adamantyl carboxylic and sulfonic acid catalyzed paraffin-olefin alkylation EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-17 US disclosed
US-4424387-A STRONG ACID, BRANCHING EXXON RESEARCH AND ENGINEERING CO. (US) 1984-01-03 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 (1 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-20170232007-A1 METHODS AND COMPOSITIONS FOR TREATING ALCOHOL USE DISORDERS HSD3B1, HSD11B1, HSD3B2 HSD11B1 2/4885L3MBTL1 4395/4885KDM4E 3167/4885

“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.