SCHEMBL1114731

SCHEMBL1114731

CC(C)(COC1CCCCO1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CREBBP Q92793 2/20 0.33
EP300 Q09472 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
SLC6A3 Q01959 2/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALDH1A1 P00352 1/20 0.30
DGAT1 O75907 2/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL20118725 0.87 MEN1 (0.44) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL29273103 0.84 MEN1 (0.39) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL1691135 0.84 MEN1 (0.39) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL13391654 0.83 MEN1 (0.39) MEN1KMT2AKDM4CICAM1SELE
SCHEMBL1691068 0.80 MEN1 (0.37) MEN1KMT2AALDH1A1
SCHEMBL16775499 0.80 MEN1 (0.41) MEN1KMT2ACREBBPEP300KDM4C
SCHEMBL11634891 0.79 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL22468403 0.79 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL22488305 0.79 MEN1 (0.38) MEN1KMT2AKDM4CNPC1RAB9A
SCHEMBL15457456 0.78 MEN1 (0.37) MEN1KMT2AKDM4CNPC1RAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE44768-E1 Rapamycin hydroxyesters WYETH LLC (US) 2014-02-18 US claimed
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP claimed
US-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2008-09-18 US claimed
EP-1760083-A1 Rapamycin hydroxyesters, process for their preparation and pharmaceutical compositions containing them Wyeth (US) 2007-03-07 EP claimed
EP-1266899-B1 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them WYETH CORP (US) 2007-01-03 EP claimed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP claimed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 WO claimed
EP-1266899-A2 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them Wyeth (US) 2002-12-18 EP claimed
EP-0763039-A1 RAPAMYCIN HYDROXYESTERS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1997-03-19 EP claimed
WO-1995028406-A1 RAPAMYCIN HYDROXYESTERS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1995-10-26 WO claimed
US-5362718-A Rapamycin hydroxyesters AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-08 US claimed
US-RE44768-E1 Rapamycin hydroxyesters WYETH LLC (US) 2014-02-18 US disclosed
EP-1691814-B9 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2013-02-20 EP disclosed
EP-1691814-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2012-07-25 EP disclosed
EP-2279741-A2 Caprolactams and their use as anti-inflammatory agents Cambridge Enterprise Ltd. (GB) 2011-02-02 EP disclosed
EP-1266899-B1 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them WYETH CORP (US) 2007-01-03 EP disclosed
EP-1691814-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2006-08-23 EP disclosed
WO-2005053702-A2 ANTI-INFLAMMATORY AGENTS CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LIMITED (GB) 2005-06-16 WO disclosed
EP-1266899-A2 Rapamycin hdroxyesters, process for their preparation and pharmaceutical compositions containing them Wyeth (US) 2002-12-18 EP disclosed
US-5362718-A Rapamycin hydroxyesters AMERICAN HOME PRODUCTS CORPORATION (US) 1994-11-08 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-20080227724-A1 3-(alkanoyl or alkenoyl)amino-caprolactams; autoimmune diseases, asthma, osteoporosis, transplant rejection, psoriasis, Alzheimer's Disease, Multiple sclerosis, ALS; antitumor, antiarthritic, antifibrotic, and antiscarring agents SMURF1, SMURF2, PSEN1 MEN1 2473/4885KMT2A 3114/4885CREBBP 2557/4885

“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.