SCHEMBL516045

SCHEMBL516045

CCCCCN(C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.49
DNM1 Q05193 3/20 0.46
AKR1B1 P15121 1/20 0.44
KDM5A P29375 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
GPR84 Q9NQS5 6/20 0.42
PPARG P37231 6/20 0.42
PPARD Q03181 6/20 0.42
PPARA Q07869 6/20 0.42
HDAC11 Q96DB2 5/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42

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
SCHEMBL6472585 0.98 EPHX2 (0.51) EPHX2DNM1GPR84PPARGPPARD
SCHEMBL28553323 0.98 EPHX2 (0.51) EPHX2DNM1GPR84PPARGPPARD
SCHEMBL28824246 0.98 EPHX2 (0.51) EPHX2DNM1GPR84PPARGPPARD
SCHEMBL4465282 0.98 EPHX2 (0.51) EPHX2DNM1GPR84PPARGPPARD
SCHEMBL7273343 0.98 EPHX2 (0.51) EPHX2DNM1GPR84PPARGPPARD
Hydrochloric Acid SCHEMBL11601052 0.98 DNM1 (0.48) EPHX2DNM1AKR1B1KDM5AKDM5C
SCHEMBL9700493 0.98 EPHX2 (0.51) EPHX2DNM1GPR84PPARGPPARD
SCHEMBL14763563 0.98 EPHX2 (0.51) EPHX2DNM1GPR84PPARGPPARD
SCHEMBL5395582 0.98 EPHX2 (0.51) EPHX2DNM1GPR84PPARGPPARD
SCHEMBL4874900 0.98 EPHX2 (0.51) EPHX2DNM1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116829547-A Factor XIIa inhibitors 卡尔维斯塔制药有限公司 2023-09-29 CN disclosed
EP-3852746-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2021-07-28 EP disclosed
EP-3728240-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
WO-2020060915-A1 CYCLOPENTYL ACIDS AS LPA ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-26 WO disclosed
EP-3200797-A1 QUINAZOLINE-BASED KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2017-08-09 EP disclosed
WO-2016053794-A1 QUINAZOLINE-BASED KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-07 WO disclosed
US-20120027824-A1 Preparations facilitated by vesicles using alkyl polypentosides and uses of said preparations AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENT (A.R.D.) (FR) 2012-02-02 US disclosed
EP-2380658-A2 Easier vesicle preparations using alkyl poly-pentosides and use of said preparations Agro Industrie Recherches Et Developpements A.R.D. (FR) 2011-10-26 EP disclosed
EP-1914229-B1 NOVEL CERCOSPORAMIDE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-06-16 EP disclosed
US-20090036492-A1 Novel Cercosporamide Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-05 US disclosed
EP-1914229-A1 NOVEL CERCOSPORAMIDE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2008-04-23 EP disclosed
EP-1756037-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-02-28 EP disclosed
WO-2005070871-A2 AMINO ALCOHOL DERIVATIVES AND THEIR ACTIVITY AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO disclosed
EP-0033098-B1 N-METHYL-N-SILYL-CARBAMATES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS PESTICIDES BASF Aktiengesellschaft (DE) 1983-11-23 EP disclosed
US-4360517-A INSECTICIDES, MITICIDES, AND NEMATOCIDES BASF AKTIENGESELLSCHAFT (DE) 1982-11-23 US disclosed
US-4315017-A Triazole derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-02-09 US disclosed
EP-0008651-B1 DERIVATIVES OF TRIAZOLE, PROCESS FOR THEIR PRODUCTION AND INSECTICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0033098-A2 N-methyl-N-silyl-carbamates, processes for their preparation and their use as pesticides BASF Aktiengesellschaft (DE) 1981-08-05 EP disclosed
EP-0008651-A1 Derivatives of triazole, process for their production and insecticides containing them BASF Aktiengesellschaft (DE) 1980-03-19 EP disclosed
EP-0007589-A1 Insecticide agents comprising carbamate as active ingredient and triazole derivatives as synergists BASF Aktiengesellschaft (DE) 1980-02-06 EP 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-20090036492-A1 Novel Cercosporamide Derivative GPR119, CBR3, SLC5A2 EPHX2 1413/4885DNM1 3685/4885AKR1B1 342/4885

“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.