SCHEMBL2816078

SCHEMBL2816078

CC(=O)OC1C=CC(=O)C1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 7/20 0.49
NFKB2 Q00653 7/20 0.49
RELA Q04206 7/20 0.49
NLRP3 Q96P20 1/20 0.40
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
POLB P06746 2/20 0.34
CYP19A1 P11511 1/20 0.34
CA12 O43570 4/20 0.33
CA9 Q16790 4/20 0.33
ALOX5 P09917 1/20 0.31

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
SCHEMBL6439354 1.00 NFKB1 (0.49) NFKB1NFKB2RELANLRP3CA1
SCHEMBL2816076 1.00 NFKB1 (0.49) NFKB1NFKB2RELANLRP3CA1
Trifluoroethanol SCHEMBL11549440 0.84 NFKB1 (0.40) NFKB1NFKB2RELANLRP3
SCHEMBL9414132 0.81 NLRP3 (0.38) NFKB1NFKB2RELANLRP3CA1
SCHEMBL9857138 0.79 NFKB1 (0.47) NFKB1NFKB2RELANLRP3CYP19A1
SCHEMBL9856833 0.79 NFKB1 (0.49) NFKB1NFKB2RELANLRP3
SCHEMBL618190 0.78 NLRP3 (0.36) NFKB1NFKB2RELANLRP3POLB
SCHEMBL9856628 0.77 NFKB1 (0.44) NFKB1NFKB2RELANLRP3
SCHEMBL9856529 0.77 NLRP3 (0.48) NFKB1NFKB2RELANLRP3CYP19A1
SCHEMBL9856316 0.76 NFKB1 (0.43) NFKB1NFKB2RELANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0133251-B1 PROCESS FOR PREPARING 4-HYDROXY-2-CYCLOPENTENONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-06-22 EP claimed
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US claimed
JP-63000292-A None JP disclosed
US-8318804-B2 Antiviral activity of cyclopentene nitro-ester and derivatives UNIVERSITY OF SOUTH FLORIDA (US) 2012-11-27 US disclosed
US-8236853-B1 Formation of cyclopentene nitro-ester and derivatives UNIVERSITY OF SOUTH FLORIDA (US) 2012-08-07 US disclosed
US-20100249230-A1 ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-30 US disclosed
US-7666619-B2 Compounds and methods for regulating bacterial growth and pathogenesis PRINCETON UNIVERSITY (US) 2010-02-23 US disclosed
WO-2009076397-A2 ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES UNIVERSITY OF SOUTH FLORIDA (US) 2009-06-18 WO disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO disclosed
WO-1989000555-A1 PROCESS FOR MANUFACTURING SYMMETRICAL DIESTERS OF BICYCLO[3.3.0]-OCTANEDIONE DICARBOXYLIC ACID SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1989-01-26 WO disclosed
EP-0299907-A1 Process for the preparation of diesters of symmetrical bicyclo[3.3.0]octanedionedicarboxylic acids SCHERING AKTIENGESELLSCHAFT (DE) 1989-01-18 EP disclosed
JP-S63292-A PRODUCTION OF OPTICALLY ACTIVE 4-HYDROXY-2-CYCLOPENTENONE SUMITOMO CHEM CO LTD 1988-01-05 JP disclosed
US-4683341-A Optical resolution of oxycyclopentenone DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1987-07-28 US disclosed
EP-0186133-A2 Optical resolution of oxycyclopentenone DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1986-07-02 EP disclosed
US-4229592-A 4-ALPHA-ACETOXY-2-CYCLOPENTENONE-3-CARBOXALDEHYDE KANSAS UNIVERSITY ENDOWMENT ASSOCIATION (US) 1980-10-21 US disclosed
US-4229592-A 4-ALPHA-ACETOXY-2-CYCLOPENTENONE-3-CARBOXALDEHYDE KANSAS UNIVERSITY ENDOWMENT ASSOCIATION (US) 1980-10-21 US disclosed
US-4132726-A INTERMEDIATES FOR PROSTAGLANDIN COMPOUNDS TEIJIN LIMITED (JP) 1979-01-02 US disclosed
US-4008125-A New cyclopentene-diols and new acyl esters thereof and process for their preparation TEIJIN LIMITED (JA) 1977-02-15 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 (2 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 NFKB1 1696/4885NFKB2 2434/4885RELA 1945/4885
US-20100249230-A1 ANTIVIRAL ACTIVITY OF CYCLOPENTENE NITRO-ESTER AND DERIVATIVES CYP51A1, CES2, DDT NFKB1 2273/4885NFKB2 2059/4885RELA 1209/4885

“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.