SCHEMBL2128656

SCHEMBL2128656

COc1ccc2cc(C)oc2c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.60
ALDH1A1 P00352 5/20 0.53
HPGD P15428 5/20 0.53
KDM4E B2RXH2 5/20 0.53
HSD17B10 Q99714 5/20 0.53
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
CA13 Q8N1Q1 4/20 0.53
MAPT P10636 4/20 0.53
CASP1 P29466 3/20 0.53
CASP7 P55210 3/20 0.53
CYP2C9 P11712 3/20 0.53
CYP2C19 P33261 3/20 0.53
ALOX15 P16050 2/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53

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
SCHEMBL31169352 0.75 MCL1 (1.00) MCL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL5085582 0.75 MCL1 (1.00) MCL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL2265895 0.74 CA9 (0.49) MCL1ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL73415 0.74 LMNA (0.58) ALDH1A1HPGDKDM4EHSD17B10CA12
SCHEMBL4420514 0.73 ALDH1A1 (0.45) ALDH1A1HPGDKDM4EHSD17B10CA1
SCHEMBL28417210 0.71 CYP3A4 (0.47) ALDH1A1KDM4ECA12CA9MAPT
SCHEMBL28605152 0.70 ADORA3 (0.65) MCL1KDM4ECA12CA1CA7
SCHEMBL29577455 0.70 KDM4E (0.64) HPGDKDM4EHSD17B10MAPTALOX15
SCHEMBL28903666 0.70 KDM4E (0.64) HPGDKDM4EHSD17B10MAPTALOX15
SCHEMBL29577293 0.70 KDM4E (0.64) HPGDKDM4EHSD17B10MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020840-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LTD (AU) 2017-01-26 US disclosed
US-9346842-B2 Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2016-05-24 US disclosed
US-20140171642-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2014-06-19 US disclosed
US-8716335-B2 Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2014-05-06 US disclosed
US-8680135-B2 Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2014-03-25 US disclosed
US-20130053351-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2013-02-28 US disclosed
US-20120214770-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-08-23 US disclosed
US-8198466-B2 Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2012-06-12 US disclosed
EP-2460793-A1 Substituted Benzofurans, Benzothiophenes, Benzoselenophenes and Indoles And Their Use as Tubulin Polymerisation Inhibitors Bionomics Limited (AU) 2012-06-06 EP disclosed
EP-1984333-B1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LTD (AU) 2012-04-25 EP disclosed
US-20100004208-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2010-01-07 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 (5 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-20120214770-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB MCL1 1561/4885ALDH1A1 1904/4885HPGD 3766/4885
US-20170020840-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB MCL1 1561/4885ALDH1A1 1904/4885HPGD 3766/4885
US-20100004208-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB MCL1 1561/4885ALDH1A1 1904/4885HPGD 3766/4885
US-20140171642-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB MCL1 1561/4885ALDH1A1 1904/4885HPGD 3766/4885
US-20130053351-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB MCL1 1561/4885ALDH1A1 1904/4885HPGD 3766/4885

“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.