SCHEMBL2045490

SCHEMBL2045490

c1ccc(C2OCCCCO2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
TSHR P16473 1/20 0.48
KCNA4 P22459 1/20 0.43
KCNA1 Q09470 1/20 0.43
KCNAB1 Q14722 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
SLC6A3 Q01959 1/20 0.39
NLRP3 Q96P20 1/20 0.39
HTR1A P08908 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
SCHEMBL11512989 0.98 MEN1 (0.56) MEN1CYP2C19KMT2ATSHRKCNA4
SCHEMBL11515285 0.98 MEN1 (0.56) MEN1CYP2C19KMT2ATSHRKCNA4
SCHEMBL733501 0.95 CYP2C19 (0.58) MEN1CYP2C19KMT2ATSHRKCNA4
SCHEMBL366283 0.90 CYP2C19 (0.62) MEN1CYP2C19KMT2ATSHRKCNA4
Biphenyl SCHEMBL28725381 0.83 MEN1 (0.56) MEN1CYP2C19KMT2ATSHRKCNA4
SCHEMBL24109360 0.82 MEN1 (0.45) MEN1CYP2C19KMT2A
SCHEMBL23483030 0.82 MEN1 (0.45) MEN1CYP2C19KMT2A
SCHEMBL17818440 0.82 MEN1 (0.42) MEN1CYP2C19KMT2ATSHRL3MBTL1
SCHEMBL9451018 0.81 MEN1 (0.41) MEN1CYP2C19KMT2ATSHRSMN1; SMN2
SCHEMBL5946282 0.79 CYP2C19 (0.62) MEN1CYP2C19KMT2ATSHRKCNA4

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-4180646-A BIOERODABLE SUSTAINED RELEASE COTAINGS ALZA CORPORATION (US) 1979-12-25 US claimed
US-8629268-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2014-01-14 US disclosed
CN-103012628-A Solid catalyst for olefin polymerization and process for producing olefin polymer SUMITOMO CHEMICAL CO 2013-04-03 CN disclosed
US-20130072648-A1 SOLID CATALYST FOR OLEFIN POLYMERIZATION AND PROCESS FOR PRODUCING OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-03-21 US disclosed
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-21 US disclosed
US-8227645-B2 Cyclisation process of forming a multiple ring compound NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-07-24 US disclosed
US-7956132-B2 Production of telechelic compounds by metathesis depolymerization DOW GLOBAL TECHNOLOGIES LLC (US) 2011-06-07 US disclosed
US-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-09-09 US disclosed
US-20100168352-A1 PRODUCTION OF TELECHELIC COMPOUNDS BY METATHESIS DEPOLYMERIZATION DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-01 US disclosed
EP-2057196-B1 PRODUCTION OF TELECHELIC COMPOUNDS BY METATHESIS DEPOLYMERIZATION DOW GLOBAL TECHNOLOGIES INC (US) 2010-02-24 EP disclosed
EP-2057196-A2 PRODUCTION OF TELECHELIC COMPOUNDS BY METATHESIS DEPOLYMERIZATION Dow Global Technologies Inc. (US) 2009-05-13 EP disclosed
WO-2009009158-A2 METATHETIC PRODUCTION OF FUNCTIONALIZED POLYMERS DOW GLOBAL TECHNOLOGIES, INC. (US) 2009-01-15 WO disclosed
WO-2008027269-A2 PRODUCTION OF TELECHELIC COMPOUNDS BY METATHESIS DEPOLYMERIZATION DOW GLOBAL TECHNOLOGIES INC. (US) 2008-03-06 WO disclosed
WO-2007097719-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2007-08-30 WO disclosed
US-20060178493-A1 Telechelic alkadiene polymers with crosslinkable end groups and methods for making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-08-10 US disclosed
US-7022789-B2 Telechelic alkadiene polymers with crosslinkable end groups and methods for making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-04-04 US disclosed
US-20050176906-A1 Telechelic alkadiene polymers with crosslinkable end groups and methods for making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-08-11 US disclosed
US-6867274-B2 Telechelic alkadiene polymers with crosslinkable end groups and methods for making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2005-03-15 US disclosed
US-20020169263-A1 Telechelic alkadiene polymers with crosslinkable end groups and methods for making the same CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-11-14 US disclosed
US-6465590-B1 FROM REACTION OF A FUNCTIONALIZED CHAIN TRANSFER AGENT HAVING CROSSLINKABLE ENDS WITH A CYCLOALKENE CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-10-15 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-20100228058-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND DHPS, GGPS1, COASY MEN1 458/4885CYP2C19 215/4885KMT2A 2281/4885
US-20130046090-A1 CYCLISATION PROCESS OF FORMING A MULTIPLE RING COMPOUND COASY, AKR1C4, AKR1C2 MEN1 541/4885CYP2C19 230/4885KMT2A 1729/4885

“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.