SCHEMBL14896293

SCHEMBL14896293

C=CCc1c(C)c(OC)c2ccccc2c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
POLB P06746 2/20 0.37
SLC2A1 P11166 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
IDO1 P14902 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL16673098 0.83 KDM4E (0.47) KDM4EALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL11485415 0.80 PPARG (0.46) KDM4EALDH1A1SMN1; SMN2MAPK1CYP1A2
SCHEMBL1241143 0.77 POLB (0.39) KDM4EALDH1A1SMN1; SMN2GAACYP3A4
SCHEMBL17165885 0.77 POLB (0.42) KDM4EALDH1A1SMN1; SMN2GAACYP3A4
SCHEMBL15641972 0.77 KDM4E (0.38) KDM4EALDH1A1SMN1; SMN2MAPK1CYP3A4
SCHEMBL9736640 0.77 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPK1GAA
Hydrochloric Acid SCHEMBL22778178 0.77 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL22778205 0.77 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL29525638 0.77 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL5424752 0.77 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2911656-B1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SA (FR) 2020-12-02 EP disclosed
US-9446015-B2 Quinone based nitric oxide donating compounds for ophthalmic use NICOX SCIENCE IRELAND (IE) 2016-09-20 US disclosed
US-20150283106-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SA (FR) 2015-10-08 US disclosed
EP-2911656-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE Nicox Science Ireland (IE) 2015-09-02 EP disclosed
US-9079821-B2 Quinone based nitric oxide donating compounds NICOX SCIENCE IRELAND (IE) 2015-07-14 US disclosed
US-9061962-B2 Quinone based nitric oxide donating compounds NICOX SCIENCE IRELAND (IE) 2015-06-23 US disclosed
EP-2707354-B1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX SCIENCE IRELAND (IE) 2015-04-29 EP disclosed
US-20140342998-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX S.A. (FR) 2014-11-20 US disclosed
US-20140135389-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX SA (FR) 2014-05-15 US disclosed
WO-2014063923-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX S.A. (FR) 2014-05-01 WO disclosed
EP-2722326-A1 Quinone based nitric oxide donating compounds NICOX S.A. (FR) 2014-04-23 EP disclosed
EP-2707354-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS Nicox S.A. (FR) 2014-03-19 EP disclosed
WO-2013060673-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX S.A. (FR) 2013-05-02 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 (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-20150283106-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NOS1, NOS3, NOS2 KDM4E 1772/4885ALDH1A1 265/4885SMN1; SMN2 4842/4885
US-20140135389-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NOS2, NQO1, NOS1 KDM4E 1828/4885ALDH1A1 339/4885SMN1; SMN2 1510/4885
US-20140342998-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NOS2, NQO1, NOS1 KDM4E 1828/4885ALDH1A1 339/4885SMN1; SMN2 1510/4885

“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.