SCHEMBL296708

SCHEMBL296708

Cc1cc2ccccc2c2c1OP(=O)(O)Oc1c(C)cc3ccccc3c1-2

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 19/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
KDM4E B2RXH2 1/20 0.68
RECQL P46063 1/20 0.56

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
SCHEMBL14981567 0.84 GPR84 (0.49) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL14981558 0.84 GPR84 (0.49) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL25484963 0.84 GPR84 (0.75) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL3922363 0.84 GPR84 (0.72) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL15108783 0.83 GPR84 (0.49) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL296967 0.83 GPR84 (0.74) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL887269 0.82 GPR84 (0.74) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL22256272 0.82 GPR84 (0.72) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL3928881 0.81 GPR84 (0.66) GPR84MEN1KMT2AKDM4ERECQL
SCHEMBL3917764 0.81 GPR84 (0.84) GPR84MEN1KMT2AKDM4ERECQL

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598365-B2 Method for synthesizing cycloalkanyl[b]indoles, cycloalkanyl[b]benzofurans, cycloalkanyl[b]benzothiophenes, compounds and methods of use TRUSTEES OF DARTMOUTH COLLEGE (US) 2017-03-21 US disclosed
US-9399652-B2 Synthetic route to pactamycin and pactamycin analogs THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-07-26 US disclosed
US-20150329570-A1 SYNTHETIC ROUTE TO PACTAMYCIN AND PACTAMYCIN ANALOGS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-19 US disclosed
US-20150057326-A1 Method for Synthesizing Cycloalkanyl[b]indoles, Cycloalkanyl[b]benzofurans, Cycloalkanyl[b]benzothiophenes, Compounds and Methods of Use TRUSTEES OF DARTMOUTH COLLEGE (US) 2015-02-26 US disclosed
US-8350040-B2 Process for preparing (alpha S, beta R)-6-bromo-alpha-[2-(dimethylamino)ethyl]-2- methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-08 US disclosed
EP-1888604-B1 PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL JANSSEN PHARMACEUTICA NV (BE) 2012-03-14 EP disclosed
US-20110319623-A1 PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL CILAG AG (CH) 2011-12-29 US disclosed
US-8039628-B2 Isolation from mixture of stereoisomers; optical resolution of enantiomorphs JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-18 US disclosed
US-7902207-B2 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-03-08 US disclosed
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-12-09 US disclosed
US-7799934-B2 Intermediates (synthons) in the synthesis of pharmaceuticals such as oseltamivir and other products; treating the arizidine with the nucleophile in the presence of a biaryl phosphoric acid catalyst UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-21 US disclosed
US-7517828-B2 Chiral broensted acid catalyst for asymmetric synthesis and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2009-04-14 US disclosed
US-20090030212-A1 Enantioselective ring-opening of aziridines UNIVERSITY OF SOUTH FLORIDA OF TAMPA 2009-01-29 US disclosed
WO-2009005775-A2 ENANTIOSELECTIVE RING-OPENING OF AZIRIDINES UNIVERSITY OF SOUTH FLORIDA (US) 2009-01-08 WO disclosed
US-20080200683-A1 Process for Preparing (Alpha S, Beta R)-6-Bromo-Alpha-[2-(Dimethylamino) Ethyl]-2-Methoxy-Alpha-1-Naphthalenyl-Beta-Phenyl-3-Quinolineethanol JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 US disclosed
WO-2007098741-A2 ORGANIC SALTS AND METHOD FOR PRODUCING CHIRAL ORGANIC COMPOUNDS STUDIENGESELLSCHAFT KOHLE MBH (DE) 2007-09-07 WO disclosed
US-20070142639-A1 Process for production of amines TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-06-21 US disclosed
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst TOAGOSEI CO., LTD. (JP) 2006-12-07 US disclosed
EP-1623971-A1 ASYMMETRIC-SYNTHESIS CATALYST BASED ON CHIRAL BROENSTED ACID AND METHOD OF ASYMMETRIC SYNTHESIS WITH THE CATALYST TOAGOSEI CO., LTD. (JP) 2006-02-08 EP disclosed
EP-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 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 (8 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-20150329570-A1 SYNTHETIC ROUTE TO PACTAMYCIN AND PACTAMYCIN ANALOGS PAICS, DPM1, MANBA GPR84 3785/4885MEN1 82/4885KMT2A 977/4885
US-20070142639-A1 Process for production of amines SMS, CCNT1, PEAK1 GPR84 2711/4885MEN1 194/4885KMT2A 2635/4885
US-20060276329-A1 Asymmetric synthesis catalyst based on chiral brsnsted acid and method of asymmetric synthesis with the catalyst LSS, COASY, FASN GPR84 2758/4885MEN1 169/4885KMT2A 2039/4885
US-20090030212-A1 Enantioselective ring-opening of aziridines AZI2, ITPA, ADORA2A GPR84 1418/4885MEN1 647/4885KMT2A 2717/4885
US-20080200683-A1 Process for Preparing (Alpha S, Beta R)-6-Bromo-Alpha-[2-(Dimethylamino) Ethyl]-2-Methoxy-Alpha-1-Naphthalenyl-Beta-Phenyl-3-Quinolineethanol LBR, ADRA1A, ADRA1D GPR84 1474/4885MEN1 1168/4885KMT2A 1760/4885
US-20100311975-A1 CATIONIC TRANSITION METAL CATALYSTS AP2M1, OPRM1, CD81 GPR84 4282/4885MEN1 4031/4885KMT2A 3583/4885
US-20150057326-A1 Method for Synthesizing Cycloalkanyl[b]indoles, Cycloalkanyl[b]benzofurans, Cycloalkanyl[b]benzothiophenes, Compounds and Methods of Use CCKBR, GCGR, BDKRB1 GPR84 577/4885MEN1 882/4885KMT2A 2942/4885
US-20110319623-A1 PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL LBR, ADRA1A, ADRA1D GPR84 1474/4885MEN1 1168/4885KMT2A 1760/4885

“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.