SCHEMBL942492

SCHEMBL942492

O=C1C=CC2(CC1)OCCO2

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 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
SCHEMBL2600400 0.77
SCHEMBL13486703 0.75 ALOX5 (0.32) ALOX5
SCHEMBL14620027 0.71
SCHEMBL13278922 0.69 ALDH1A1 (0.30)
SCHEMBL3728133 0.68
SCHEMBL9140299 0.67
SCHEMBL15464308 0.67
SCHEMBL16998555 0.67
SCHEMBL10491603 0.65
SCHEMBL11956609 0.65 ALOX5 (0.30) ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210387936-A1 PROCESS OF ALPHA,BETA-DESATURATION OF COMPOUNDS CONTAINING A CARBONYL MOIETY MINAKEM (FR) 2021-12-16 US disclosed
EP-3922759-A1 PROCESS OF ALPHA,BETA-DESATURATION OF COMPOUNDS CONTAINING A CARBONYL MOIETY Minakem (FR) 2021-12-15 EP disclosed
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 WO disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
EP-2697193-B1 SUBSTITUTED 5-(CYCLOHEX-2-EN-1-YL)-PENTA-2,4-DIENES AND 5-(CYCLOHEX-2-EN-1-YL)-PENT-2-EN-4-INES AS ACTIVE AGENTS AGAINST ABIOTIC STRESS IN PLANTS BAYER IP GMBH (DE) 2016-07-06 EP disclosed
US-7872123-B2 Process of making α-aminooxyketone/α-aminooxyaldehyde and α-hydroxyketone/α-hydroxyaldehyde compounds and a process making reaction products from cyclic α,β-unsaturated ketone substrates and nitroso substrates JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-01-18 US disclosed
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-22 US disclosed
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-22 US disclosed
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-22 US disclosed
US-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
US-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
US-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2007-02-15 US disclosed
EP-1742905-A2 PROCESS OF MAKING ALFA-AMINOOXYKETONE/ ALFA-AMINOOXYALDEHYDE AND ALFA-HYDROXYKETONE/ ALFA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS OF MAKING REACTION PRODUCTS FROM CYCLIC ALFA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES Japan Science and Technology Agency (JP) 2007-01-17 EP disclosed
US-20050261497-A1 Catalytic asymmetric hetero diels-alder reaction of a heteroaromatic C-nitroso dienophile: a novel method for synthesis of chiral non-racemic amino alcohols JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-11-24 US disclosed
WO-2005090294-A2 PROCESS OF MAKING α-AMINOOXYKETONE/α-AMINOOXYALDEHYDE AND α-HYDROXYKETONE/α-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS OF MAKING REACTION PRODUCTS FROM CYCLIC α,ß-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-09-29 WO 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 (6 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-20070037973-A1 reacting a cyclic alpha , beta -unsaturated ketone compound with a nitroso compound in the presence of a proline-based catalyst to provide 7-Phenyl-6-oxa-7-aza-bicyclo[3.2.2]nonan-9-one or derivatives; catalytic asymmetric O-nitroso Aldol/Michael reaction XDH, PDXK, AOX1 ALOX5 90/4885
US-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 ALOX5 931/4885
US-20210387936-A1 PROCESS OF ALPHA,BETA-DESATURATION OF COMPOUNDS CONTAINING A CARBONYL MOIETY SCD, COASY, ECH1 ALOX5 159/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 ALOX5 931/4885
US-20050261497-A1 Catalytic asymmetric hetero diels-alder reaction of a heteroaromatic C-nitroso dienophile: a novel method for synthesis of chiral non-racemic amino alcohols ADH5, ADH1C, ADH1A ALOX5 204/4885
US-20100099915-A1 PROCESS OF MAKING ALPHA-AMINOOXYKETONE/ALPHA-AMINOOXYALDEHYDE AND ALPHA-HYDROXYKETONE/ALPHA-HYDROXYALDEHYDE COMPOUNDS AND A PROCESS MAKING REACTION PRODUCTS FROM CYCLIC ALPHA, BETA-UNSATURATED KETONE SUBSTRATES AND NITROSO SUBSTRATES XDH, QSOX1, KMO ALOX5 103/4885

“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.