SCHEMBL7325280

SCHEMBL7325280

COc1c(O)c(C)c(CCCCCCCCCCO)c(O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.41
LMNA P02545 1/20 0.40
PGR P06401 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
MAPK1 P28482 1/20 0.40
AVPR2 P30518 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
HTT P42858 1/20 0.40
PDE3A Q14432 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SLC29A1 Q99808 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
IMPDH1 P20839 4/20 0.37
IMPDH2 P12268 3/20 0.37

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
SCHEMBL1241214 1.00 ALOX5 (0.41) ALOX5LMNAPGRCYP3A4CYP2D6
SCHEMBL7413599 1.00 ALOX5 (0.41) ALOX5LMNAPGRCYP3A4CYP2D6
SCHEMBL7323576 0.98 ALOX5 (0.38) ALOX5LMNAPGRCYP3A4CYP2D6
SCHEMBL8293476 0.92 TNKS2 (0.41) ALOX5LMNAPGRCYP3A4CYP2D6
SCHEMBL7361916 0.86 IMPDH2 (0.46) ALOX5TDP1IMPDH1IMPDH2TNKS2
SCHEMBL23888077 0.85 ALOX5 (0.55) ALOX5MAPTTDP1
SCHEMBL30479929 0.85 ALOX5 (0.55) ALOX5MAPTTDP1
SCHEMBL26969207 0.85 ALOX5 (0.55) ALOX5MAPTTDP1
SCHEMBL22579083 0.84 ALOX5 (0.40) ALOX5IMPDH1IMPDH2
SCHEMBL13736907 0.84 ALOX5 (0.40) ALOX5IMPDH1IMPDH2

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
EP-2911656-B1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SA (FR) 2020-12-02 EP disclosed
US-20170246195-A1 MITOQUINONE DERIVATIVES USED AS MITOCHONDRIALLY TARGETED ANTIOXIDANTS ANTIPODEAN PHARMACEUTICALS INC (NZ) 2017-08-31 US 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
US-4525361-A FOR PHYSIOLOGICAL HOST DEFENSE CONTROL ACTIVITY IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-06-25 US disclosed
US-4407757-A IMMUNOLOGY AGENT, MUSCLE RELAXANT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
US-4271083-A IMMUNO-POTENTIATING ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-06-02 US disclosed
US-4139545-A IMMUNO-POTENTIATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-02-13 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-20170246195-A1 MITOQUINONE DERIVATIVES USED AS MITOCHONDRIALLY TARGETED ANTIOXIDANTS PRDX5, TXN2, MT-ND2 ALOX5 546/4885LMNA 1460/4885PGR 2484/4885
US-20150283106-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NOS1, NOS3, NOS2 ALOX5 183/4885LMNA 2979/4885PGR 3899/4885
US-20140135389-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NOS2, NQO1, NOS1 ALOX5 189/4885LMNA 2252/4885PGR 3698/4885
US-20140342998-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NOS2, NQO1, NOS1 ALOX5 189/4885LMNA 2252/4885PGR 3698/4885

“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.