SCHEMBL2514745

SCHEMBL2514745

COc1ccc(CNc2c(C(=O)O)cnc3c(OC)cccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ASPH Q12797 2/20 0.55
KDM8 Q8N371 2/20 0.55
AURKA O14965 2/20 0.52
RPS6KB1 P23443 2/20 0.52
AURKB Q96GD4 1/20 0.52
RIOX2 Q8IUF8 1/20 0.51
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL15168790 0.88 KDM4E (0.54) KDM4ESMN1; SMN2ASPHKDM8AURKA
SCHEMBL2018336 0.88 KDM4E (0.76) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL2514856 0.83 KDM4E (0.55) KDM4ESMN1; SMN2ASPHKDM8AURKA
SCHEMBL16105916 0.81 KDM4E (0.51) KDM4ESMN1; SMN2
SCHEMBL2017818 0.81 KDM4E (0.82) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL7375582 0.79 KDM4E (0.53) KDM4ESMN1; SMN2ASPHKDM8AURKA
SCHEMBL23575222 0.78 MAPT (0.53) KDM4ESMN1; SMN2ASPHKDM8RIOX2
Phosphoric Acid SCHEMBL11249952 0.78 KDM4E (0.76) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL9320011 0.77 KDM4E (0.64) KDM4ESMN1; SMN2
SCHEMBL15170185 0.76 GAA (0.63) KDM4ESMN1; SMN2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128481-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-05-08 US claimed
CN-102933081-A Sweet flavor modifier SENOMYX INC 2013-02-13 CN claimed
EP-2552207-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2013-02-06 EP claimed
WO-2011123693-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2011-10-06 WO claimed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 US claimed
EP-2552207-B1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED (US) 2019-08-21 EP disclosed
US-9902737-B2 Sweet flavor modifier SENOMYX, INC. (US) 2018-02-27 US disclosed
US-20160251372-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2016-09-01 US disclosed
CN-102933081-B Sweet flavor modifier SENOMYX, INC. (US) 2016-04-13 CN disclosed
US-20150265711-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2015-09-24 US disclosed
US-9049878-B2 Sweet flavor modifier SENOMYX, INC. (US) 2015-06-09 US disclosed
US-20140128481-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2014-05-08 US disclosed
US-8592592-B2 Sweet flavor modifier SENOMYX, INC. (US) 2013-11-26 US disclosed
CN-102933081-A Sweet flavor modifier SENOMYX INC 2013-02-13 CN disclosed
EP-2552207-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2013-02-06 EP disclosed
WO-2011123693-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2011-10-06 WO disclosed
US-20110245353-A1 SWEET FLAVOR MODIFIER SENOMYS, INC. (US) 2011-10-06 US disclosed
US-6410529-B1 DIETETICS; NON-INSULIN DEPENDENT DIABETES; SLEEP DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 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 (4 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-20110245353-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 KDM4E 1475/4885SMN1; SMN2 2246/4885ASPH 1941/4885
US-20150265711-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 KDM4E 1475/4885SMN1; SMN2 2246/4885ASPH 1941/4885
US-20140128481-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 KDM4E 1475/4885SMN1; SMN2 2246/4885ASPH 1941/4885
US-20160251372-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 KDM4E 1475/4885SMN1; SMN2 2246/4885ASPH 1941/4885

“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.