SCHEMBL3755885

SCHEMBL3755885

COc1cccc(OC)c1OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.56
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51

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
SCHEMBL2875254 0.96 MAPK1 (0.62) MAPK1CA12CA1CA2CA7
SCHEMBL6199258 0.88 MAPT (0.53) MAPK1CA12CA1CA2CA7
SCHEMBL3327023 0.88 MAPK1 (0.58) MAPK1CA12CA1CA2CA7
SCHEMBL28158293 0.88 TUBB4A (0.47) MAPK1CA12CA1CA2CA7
SCHEMBL21708685 0.87 KMT2A (0.56) MAPK1CA12CA1CA2CA7
SCHEMBL28782497 0.87 MAPK1 (0.49) MAPK1CA12CA1CA2CA7
SCHEMBL5212814 0.86 MAPK1 (0.71) MAPK1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL9957174 0.86 TUBB4A (0.46) MAPK1CA12CA1CA2CA7
SCHEMBL7172325 0.85 MAPK1 (0.81) MAPK1CA12CA1CA2CA7
SCHEMBL1954243 0.84 CA12 (0.54) MAPK1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116338-A Synthesis method of 1- (4-hydroxy-3, 5-dimethoxyphenyl) ethane-1-ketone 苏州汉德创宏生化科技有限公司 2020-05-08 CN claimed
EP-1381359-A1 AURONES AS TELOMERASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-21 EP claimed
WO-2002083123-A1 AURONES AS TELOMERASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-10-24 WO claimed
CN-111116338-A Synthesis method of 1- (4-hydroxy-3, 5-dimethoxyphenyl) ethane-1-ketone 苏州汉德创宏生化科技有限公司 2020-05-08 CN disclosed
US-8557982-B2 Tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2013-10-15 US disclosed
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-12-06 US disclosed
US-8278290-B2 Tubulin polymerisation inhibitors Biononics Limited (AU) 2012-10-02 US disclosed
US-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-11-18 US disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed
EP-1848704-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS Bionomics Limited (AU) 2007-10-31 EP disclosed
WO-2006084338-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2006-08-17 WO disclosed
EP-1381359-A1 AURONES AS TELOMERASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-21 EP disclosed
WO-2002083123-A1 AURONES AS TELOMERASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2002-10-24 WO disclosed
US-4408074-A Process for preparing 1-(3,5-dimethoxy-4-hydroxy phenyl)-2-(N-methylamino) ethanol hydrochloride DR. LO. ZAMBELETTI S.P.A. (IT) 1983-10-04 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-20100292190-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB MAPK1 1712/4885CA12 3636/4885CA1 3270/4885
US-20120309768-A1 NOVEL TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBA1C, TUBB MAPK1 1712/4885CA12 3636/4885CA1 3270/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 MAPK1 3599/4885CA12 4654/4885CA1 2371/4885

“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.