SCHEMBL1425314

SCHEMBL1425314

CCCCOc1ccc(C=O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.60
▸ AOX1 Q06278 1/20 0.60
▸ FDPS P14324 1/20 0.53
▸ HPGD P15428 3/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ TRIM24 O15164 1/20 0.47
▸ ALDH5A1 P51649 1/20 0.47
▸ ABAT P80404 1/20 0.47
▸ TRIM33 Q9UPN9 1/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ APP P05067 1/20 0.47
▸ TTR P02766 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ S1PR2 O95136 1/20 0.44

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
SCHEMBL5216212 0.95 ALDH1A1 (0.58) ALDH1A1AOX1FDPSHPGDTDP1
SCHEMBL13258617 0.94 ALDH1A1 (0.57) ALDH1A1AOX1FDPSHPGDTDP1
SCHEMBL14953129 0.94 ALDH1A1 (0.57) ALDH1A1AOX1FDPSHPGDTDP1
SCHEMBL3842399 0.94 ALDH1A1 (0.57) ALDH1A1AOX1FDPSHPGDTDP1
SCHEMBL1425341 0.92 ALDH1A1 (0.62) ALDH1A1AOX1FDPSHPGDTDP1
SCHEMBL15853568 0.88 ALDH1A1 (0.61) ALDH1A1AOX1FDPSHPGDTDP1
SCHEMBL16472557 0.88 ALDH1A1 (0.61) ALDH1A1AOX1FDPSHPGDTDP1
SCHEMBL2890759 0.87 ALDH1A1 (0.73) ALDH1A1AOX1FDPSHPGDTDP1
SCHEMBL21156471 0.86 ALDH1A1 (0.55) ALDH1A1AOX1FDPSHPGDTDP1
SCHEMBL15952644 0.86 ALDH1A1 (0.63) ALDH1A1AOX1FDPSHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160362431-A1 Carbidopa And L-Dopa Prodrugs And Methods Of Use ABBVIE INC. 2016-12-15 — — US disclosed
US-9446059-B2 Carbidopa and L-dopa prodrugs and methods of use ABBVIE INC. (US) 2016-09-20 — — US disclosed
US-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use ABBVIE INC. 2016-04-21 — — US disclosed
US-20150352232-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE SHIGA UNIVERSITY OF MEDICAL SCIENCE (JP) 2015-12-10 — — US disclosed
EP-2944626-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE Shiga University Of Medical Science (JP) 2015-11-18 — — EP disclosed
US-20150259373-A1 NOVEL FLAVONOID COMPOUNDS AND USES THEREOF ARMARON BIO PTY LTD (AU) 2015-09-17 — — US disclosed
WO-2014109296-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE 国立大学法人滋賀医科大学 (JP) 2014-07-17 — — WO disclosed
WO-2014056038-A1 NOVEL FLAVONOID COMPOUNDS AND USES THEREOF NEUPROTECT PTY LTD (AU) 2014-04-17 — — WO disclosed
EP-2557079-A1 Synthesis of catechin and epicatechin conjugates Nestec S.A. (CH) 2013-02-13 — — EP disclosed
US-8318132-B2 Imaging agents for detecting neurological dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-11-27 — — US disclosed
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2011-02-24 — — US disclosed
US-7601742-B2 4-(3-Hydroxy-4-methoxyphenyl)-pyrrolidin-2-one and derivatives; reverse transcriptase inhibitors; AIDS IRM LLC (BM) 2009-10-13 — — US disclosed
US-7495016-B2 Pyrrolidones with anti-HIV activity IRM LLC (BM) 2009-02-24 — — US disclosed
US-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2008-10-16 — — US disclosed
US-7112698-B2 4-(c2-6alkoxy)-substituted chalcones as therapeutic agents SPEAR THERAPEUTICS LIMITED (GB) 2006-09-26 — — US disclosed
US-20040259957-A1 4-(c2-6alkoxy)-substituted chalcones as therapeutic agents SPEAR THERAPEUTICS LIMITED (GB) 2004-12-23 — — US disclosed
EP-1432669-A1 4-(C2-6 ALKOXY)-SUBSTITUTED CHALCONES AS THERAPEUTIC AGENTS Cancer Research Technology Limited (GB) 2004-06-30 — — EP disclosed
WO-2003029176-A1 4-(C2-6ALKOXY)-SUBSTITUTED CHALCONES AS THERAPEUTIC AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-04-10 — — WO disclosed
US-20020065309-A1 Novel Bicyclic and tricyclic pyrrolidine derivatives as GnRH antagonists AFFYMAX, INC. 2002-05-30 — — US disclosed
WO-2002011732-A1 NOVEL BICYCLIC AND TRICYCLIC PYRROLIDINE DERIVATIVES AS GNRH ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-02-14 — — 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 (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-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY PREP, DHPS, PDCD11 ALDH1A1 1894/4885AOX1 3298/4885FDPS 45/4885
US-20150352232-A1 MR IMAGING DIAGNOSTIC AGENT FOR INTRACTABLE NEUROLOGICAL DISEASE TARDBP, FUS, SNCA ALDH1A1 4676/4885AOX1 4748/4885FDPS 3020/4885
US-20160362431-A1 Carbidopa And L-Dopa Prodrugs And Methods Of Use COMT, SNCA, PARK7 ALDH1A1 694/4885AOX1 1355/4885FDPS 1760/4885
US-20040259957-A1 4-(c2-6alkoxy)-substituted chalcones as therapeutic agents OXER1, ALK, BCL6 ALDH1A1 390/4885AOX1 168/4885FDPS 2744/4885
US-20150259373-A1 NOVEL FLAVONOID COMPOUNDS AND USES THEREOF BAX, CASP3, BAD ALDH1A1 410/4885AOX1 175/4885FDPS 692/4885
US-20160106765-A1 Carbidopa and L-Dopa Prodrugs and Methods of Use COMT, SNCA, PARK7 ALDH1A1 694/4885AOX1 1355/4885FDPS 1760/4885
US-20020065309-A1 Novel Bicyclic and tricyclic pyrrolidine derivatives as GnRH antagonists GNRHR, FSHR, LHCGR ALDH1A1 4778/4885AOX1 4649/4885FDPS 3287/4885
US-20110046378-A1 Novel Imaging Agents for Detecting Neurological Dysfunction FABP7, SLC18A3, TSPO ALDH1A1 3189/4885AOX1 1358/4885FDPS 3656/4885

“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.

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