SCHEMBL78649

SCHEMBL78649

NC(=O)[N]C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.41
SIGMAR1 Q99720 3/20 0.40
ALDH1A1 P00352 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HIF1A Q16665 1/20 0.36
ALOX5 P09917 2/20 0.35
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
EPHX2 P34913 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 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
SCHEMBL3983669 0.97
SCHEMBL688634 0.92
SCHEMBL687673 0.86
SCHEMBL10443486 0.76 ALDH1A1 (0.40) EPHX1SIGMAR1ALDH1A1CES2CES1
SCHEMBL4592859 0.76 ALDH1A1 (0.40) EPHX1SIGMAR1ALDH1A1CES2CES1
SCHEMBL3732008 0.74 ALDH1A1 (0.39) EPHX1SIGMAR1ALDH1A1CES2CES1
SCHEMBL6649524 0.74 SIGMAR1 (0.40) EPHX1SIGMAR1ALDH1A1HIF1AKDM4E
SCHEMBL1797462 0.74 NOS2 (0.42) EPHX1SIGMAR1ALDH1A1HIF1AKDM4E
SCHEMBL8396542 0.74 ALDH1A1 (0.39) EPHX1SIGMAR1ALDH1A1CES2CES1
SCHEMBL3038206 0.74 ALDH1A1 (0.39) EPHX1SIGMAR1ALDH1A1CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929821-B derivatized polyamino acids CMC材料有限责任公司 2023-12-19 CN claimed
CN-114929821-A Derivatized polyamino acids CMC材料股份有限公司 2022-08-19 CN claimed
CN-114574157-A General organic silicon pressure-sensitive adhesive with high peel strength and preparation method thereof 广州布鲁奥申新材料科技有限公司 2022-06-03 CN claimed
US-9935269-B2 Electroluminescence element Konica Minolta, Inc. (JP) 2018-04-03 US claimed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 US claimed
EP-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP claimed
US-20110060037-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHO-STIMULANT AND OPIOID ABUSE UNIVERSITY OF COPENHAGEN (DK) 2011-03-10 US claimed
EP-2280703-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHOSTIMULANT AND OPIOID ABUSE Københavns Universitet (University Of Copenhagen) (DK) 2011-02-09 EP claimed
WO-2009112033-A1 USE OF NPY Y5 RECEPTOR ANTAGONISTS FOR THE PREVENTION OF PSYCHOSTIMULANT AND OPIOID ABUSE KØBENHAVNS UNIVERSITET (UNIVERSITY OF COPENHAGEN) (DK) 2009-09-17 WO claimed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 US claimed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN claimed
EP-1697312-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2006-09-06 EP claimed
WO-2005054179-A2 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2005-06-16 WO claimed
EP-0601092-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD Novartis AG (CH) 1994-06-15 EP claimed
WO-1993005163-A1 METHOD FOR THE SELECTION OF GENETICALLY TRANSFORMED CELLS AND COMPOUNDS FOR USE IN THE METHOD SANDOZ LTD. (CH) 1993-03-18 WO claimed
EP-0530129-A1 Method for the selection of genetically transformed cells and compounds for use in the method SANDOZ LTD. (CH) 1993-03-03 EP claimed
US-5162362-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1992-11-10 US claimed
US-5158959-A Treatment of hypertension HOECHST AKTIENGESELLSCHAFT (DE) 1992-10-27 US claimed
EP-0328160-A1 Amino acid derivatives, process to prepare them, composition containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-16 EP claimed
EP-0278530-A2 Amino acid derivatives, process for their preparation, agents containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP claimed

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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 EPHX1 201/4885SIGMAR1 2385/4885ALDH1A1 804/4885

“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.