SCHEMBL515652

SCHEMBL515652

CCCCCCC(Cl)(Cl)CCOC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 1/20 0.41
TSHR P16473 3/20 0.41
NAAA Q02083 1/20 0.40
DGKA P23743 1/20 0.40
CES2 O00748 2/20 0.39
SMPD1 P17405 2/20 0.38
FDPS P14324 1/20 0.38
EPHX1 P07099 1/20 0.38

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
Ethyl Acetate SCHEMBL169844 0.79 ALDH1A1 (0.47) ALDH1A1MEN1MAPTKMT2AATM
Acetic Acid Pentyl Ester SCHEMBL19859042 0.79 ALDH1A1 (0.71) ALDH1A1ATMFAAHTSHRNAAA
Hexyl Acetate SCHEMBL28321779 0.78 ALDH1A1 (0.77) ALDH1A1FAAHTSHRNAAADGKA
Heptane SCHEMBL6963689 0.78 ALDH1A1 (0.76) ALDH1A1FAAHTSHRNAAADGKA
Hexyl Acetate SCHEMBL28209353 0.77 ALDH1A1 (0.68) ALDH1A1FAAHTSHRNAAACES2
Acetic Acid Pentyl Ester SCHEMBL9551991 0.77 ALDH1A1 (0.68) ALDH1A1ATMFAAHTSHRNAAA
Ethyl Acetate SCHEMBL2271896 0.76 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AATM
Ethyl Acetate SCHEMBL4621152 0.76 ALDH1A1 (0.52) ALDH1A1MEN1MAPTKMT2AATM
SCHEMBL20711059 0.76 ALDH1A1 (0.61) ALDH1A1MEN1MAPTKMT2AATM
Nonylacetate SCHEMBL309051 0.76 ALDH1A1 (0.81) ALDH1A1FAAHTSHRNAAADGKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166140-B CDK8/19 inhibitors 拜奥卡德联合股份公司 2024-06-14 CN disclosed
US-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2024-06-06 US disclosed
CN-116354815-A Method for efficiently purifying cannabidiol from industrial cannabis sativa leaves 云南绿新生物药业有限公司 2023-06-30 CN disclosed
CN-113166140-A CDK8/19 inhibitors 拜奥卡德联合股份公司 2021-07-23 CN disclosed
US-20200411933-A1 SOLUBLE OXYGEN EVOLVING CATALYSTS FOR RECHARGEABLE METAL-AIR BATTERIES LIOX POWER INC (US) 2020-12-31 US disclosed
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2020-10-29 US disclosed
EP-2561573-B1 SOLUBLE OXYGEN EVOLVING CATALYSTS FOR RECHARGEABLE METAL-AIR BATTERIES LIOX POWER INC (US) 2020-03-25 EP disclosed
WO-2020027704-A1 CDK8/19 INHIBITORS ЗАКРЫТОЕ АКЦИОНЕРНОЕ ОБЩЕСТВО "БИОКАД" 2020-02-06 WO disclosed
CN-106324137-B A kind of chromatogram quantitative analysis of the liquid phase method of 2- ethyl hydrazine and tetrahydro -2- ethyl hydrazine in hydrogen-peroxide working solution 湘潭大学 2019-09-27 CN disclosed
CN-106324137-B A kind of chromatogram quantitative analysis of the liquid phase method of 2- ethyl hydrazine and tetrahydro -2- ethyl hydrazine in hydrogen-peroxide working solution 湘潭大学 2019-09-27 CN disclosed
US-7585875-B2 Substituted pyrazolo[1,5-a]pyridine compounds and their methods of use AVIGEN, INC. (US) 2009-09-08 US disclosed
CN-101401880-A Quality control method for Ditong rhinitis drop and mist BOKE PHARMACEUTICAL CO LTD (CN) 2009-04-08 CN disclosed
EP-2038279-A2 SUBSTITUTED PYRAZOLO [1,5- ALPHA] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE Avigen, Inc. (US) 2009-03-25 EP disclosed
US-20080070912-A1 Substituted pyrazolo [1,5-a] pyridine compounds and their methods of use AVIGEN, INC. (US) 2008-03-20 US disclosed
WO-2007146087-A2 SUBSTITUTED PYRAZOLO [1,5-α] PYRIDINE COMPOUNDS AND THEIR METHODS OF USE AVIGEN, INC. (US) 2007-12-21 WO disclosed
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-07-27 US disclosed
US-5585501-A Method for the reduction of allyl alcohols SHIONOGI & CO., LTD. (JP) 1996-12-17 US disclosed
EP-0543526-B1 Method for the reduction of allyl alcohols SHIONOGI & CO (JP) 1995-05-10 EP disclosed
EP-0543526-A1 Method for the reduction of allyl alcohols SHIONOGI & CO., LTD. (JP) 1993-05-26 EP disclosed
EP-0199963-B1 ETHOSUXIMIDE ASSAY TRACERS, IMMUNOGENS AND ANTIBODIES ABBOTT LABORATORIES (US) 1991-10-23 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 (4 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-20240182463-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 ALDH1A1 1564/4885MEN1 3247/4885MAPT 4568/4885
US-20060167044-A1 Piperidine derivatives and their use as anti-inflammatory agents CCR1, CCR2, CCR3 ALDH1A1 296/4885MEN1 4827/4885MAPT 3394/4885
US-20080070912-A1 Substituted pyrazolo [1,5-a] pyridine compounds and their methods of use PNPO, PDXK, P2RX5 ALDH1A1 549/4885MEN1 1617/4885MAPT 2050/4885
US-20200339565-A1 PRODRUG SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PREP, UNG, DPP4 ALDH1A1 1478/4885MEN1 3030/4885MAPT 4579/4885

“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.