SCHEMBL4131942

SCHEMBL4131942

COc1ccc(CCCCC(=O)O)c(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
F13A1 P00488 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 3/20 0.45
MAPK1 P28482 1/20 0.45
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FFAR4 Q5NUL3 1/20 0.42
LTB4R Q15722 1/20 0.42

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
SCHEMBL4143173 0.98 AOC3 (0.48) AOC3KDM4EALDH1A1TAAR1F13A1
SCHEMBL4120081 0.97 AOC3 (0.51) AOC3KDM4EALDH1A1TAAR1SMN1; SMN2
SCHEMBL490405 0.89 AOC3 (0.53) AOC3KDM4EALDH1A1TAAR1SMN1; SMN2
SCHEMBL27554389 0.88 AOC3 (0.53) AOC3KDM4EALDH1A1TAAR1SMN1; SMN2
SCHEMBL4426553 0.87 POLB (0.42) F13A1SMN1; SMN2POLBMAPK1LTB4R
SCHEMBL6112724 0.86 PPARA (0.52) ALDH1A1MEN1KMT2AFFAR4LTB4R
SCHEMBL6112796 0.85 PPARA (0.55) ALDH1A1F13A1MEN1KMT2AFFAR4
SCHEMBL612449 0.84 FFAR4 (0.51) KDM4EALDH1A1TAAR1MEN1KMT2A
SCHEMBL6112741 0.82 CTDSP1 (0.45) ALDH1A1SMN1; SMN2MAPK1GAAMEN1
SCHEMBL11708826 0.81 FFAR4 (0.44) ALDH1A1SMN1; SMN2POLBMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100415719-C 2, 5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2008-09-03 CN claimed
EP-1896391-B1 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY UNIV BAYLOR (US) 2015-08-12 EP disclosed
US-8394859-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2013-03-12 US disclosed
WO-2012068284-A2 EFFICIENT METHOD FOR PREPARING FUNCTIONALIZED BENZOSUBERENES BAYLOR UNIVERSITY (US) 2012-05-24 WO disclosed
US-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes BAYLOR UNIVERSITY (US) 2012-05-24 US disclosed
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity BAYLOR UNIVERSITY 2009-03-19 US disclosed
US-7429681-B2 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY (US) 2008-09-30 US disclosed
CN-100415719-C 2, 5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2008-09-03 CN disclosed
EP-1896391-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY Baylor University (US) 2008-03-12 EP disclosed
US-20060293394-A1 Combretastatin analogs with tubulin binding activity BAYLOR UNIVERSITY 2006-12-28 US disclosed
WO-2006138427-A2 COMBRETASTATIN ANALOGS WITH TUBULIN BINDING ACTIVITY BAYLOR UNIVERSITY (US) 2006-12-28 WO disclosed
CN-1662504-A 2, 5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2005-08-31 CN disclosed
EP-0426573-B1 Phenoxypropylamine derivatives or salts thereof and antiulcer agents containing the same TERUMO CORP (JP) 1995-05-24 EP disclosed
US-5037837-A 5-lipoxygenase inhibitor TERUMO KABUSHIKI KAISHA (JP) 1991-08-06 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 (3 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-20120130129-A1 Efficient Method for Preparing Functionalized Benzosuberenes CYP2B6, CYP2A6, GABRA6 AOC3 1464/4885KDM4E 232/4885ALDH1A1 1302/4885
US-20060293394-A1 Combretastatin analogs with tubulin binding activity TUBB, TUBB3, TUBB1 AOC3 4712/4885KDM4E 4221/4885ALDH1A1 4033/4885
US-20090075943-A1 Combretastatin Analogs with Tubulin Binding Activity TUBB, TUBB3, TUBB1 AOC3 4712/4885KDM4E 4221/4885ALDH1A1 4033/4885

“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.