SCHEMBL1242706

SCHEMBL1242706

COc1c(C)c(CCCO)c(OC)c(OC)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.35
IMPDH2 P12268 2/20 0.34
IMPDH1 P20839 2/20 0.34
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAOA P21397 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPK1 P28482 1/20 0.33
AVPR2 P30518 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
HTT P42858 1/20 0.33
PDE3A Q14432 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SLC29A1 Q99808 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11098325 0.94 LMNA (0.40) TNKS2IMPDH2IMPDH1LMNAPGR
SCHEMBL24784363 0.92 LMNA (0.42) IMPDH2IMPDH1LMNAPGRCYP3A4
SCHEMBL24783641 0.92 LMNA (0.42) IMPDH2IMPDH1LMNAPGRCYP3A4
SCHEMBL8570251 0.89 IMPDH2 (0.41) IMPDH2IMPDH1CA2CA4
SCHEMBL8564172 0.87 IMPDH2 (0.41) TNKS2IMPDH2IMPDH1LMNAPGR
SCHEMBL11173917 0.84 LMNA (0.34) IMPDH1LMNAPGRCYP3A4CYP2D6
SCHEMBL14896505 0.83 TSHR (0.41) IMPDH2IMPDH1MAPTMAPK1HTT
SCHEMBL14894762 0.82 LMNA (0.33) LMNAPGRCYP3A4CYP2D6MAPT
SCHEMBL1784681 0.81 IMPDH1 (0.40) TNKS2IMPDH2IMPDH1LMNAPGR
SCHEMBL19463178 0.81 TNKS2 (0.42) TNKS2IMPDH2IMPDH1LMNAPGR

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 35 patents — showing the first 20. 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
CN-104994845-B Quinonyl Nitric oxidedonating compounds for ophthalmic applications 尼科斯科学爱尔兰公司 2017-11-17 CN disclosed
US-20170246195-A1 MITOQUINONE DERIVATIVES USED AS MITOCHONDRIALLY TARGETED ANTIOXIDANTS ANTIPODEAN PHARMACEUTICALS INC (NZ) 2017-08-31 US disclosed
CN-103687843-B Quinone based nitric oxide donor compounds 尼科斯科学爱尔兰公司 2016-11-16 CN disclosed
US-9446015-B2 Quinone based nitric oxide donating compounds for ophthalmic use NICOX SCIENCE IRELAND (IE) 2016-09-20 US disclosed
CN-103739499-B Quinonyl Nitric oxidedonating compounds 尼科斯科学爱尔兰公司 2016-09-07 CN disclosed
CN-104994845-A Quinone based nitric oxide donating compounds for ophthalmic use NICOX SA 2015-10-21 CN disclosed
WO-2015155234-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX SCIENCE IRELAND (IE) 2015-10-15 WO disclosed
WO-2015155234-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NICOX SCIENCE IRELAND (IE) 2015-10-15 WO disclosed
US-20150283106-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NICOX SA (FR) 2015-10-08 US disclosed
US-7888334-B2 lipophilic cationic moiety linked by to an antioxidant; a salt forming anion; does not exhibit reactivity against the lipophilic cationic moiety; Parkinson's, Alzheimer's disease, Huntington's Chorea and Friedreich's Ataxia ANTIPODEAN PHARMACEUTICALS, INC. (US) 2011-02-15 US disclosed
US-7888334-B2 lipophilic cationic moiety linked by to an antioxidant; a salt forming anion; does not exhibit reactivity against the lipophilic cationic moiety; Parkinson's, Alzheimer's disease, Huntington's Chorea and Friedreich's Ataxia ANTIPODEAN PHARMACEUTICALS, INC. (US) 2011-02-15 US disclosed
US-20080161267-A1 Mitoquinone Derivatives Used as Mitochondrially Targeted Antioxidants ANTIPODEAN PHARMACEUTICALS, INC. (US) 2008-07-03 US disclosed
US-20070238709-A1 Mitoquinone Derivatives Used as Mitochondrially Targeted Antioxidants ANTIPODEAN PHARMACEUTICALS, INC. (US) 2007-10-11 US disclosed
US-20070238709-A1 Mitoquinone Derivatives Used as Mitochondrially Targeted Antioxidants ANTIPODEAN PHARMACEUTICALS, INC. (US) 2007-10-11 US disclosed
US-20070238709-A1 Mitoquinone Derivatives Used as Mitochondrially Targeted Antioxidants ANTIPODEAN PHARMACEUTICALS, INC. (US) 2007-10-11 US disclosed
US-20060229278-A1 Mitoquinone derivatives used as mitochondrially targeted antioxidants ANTIPODEAN PHARMACEUTICALS, INC. (US) 2006-10-12 US disclosed
EP-1664069-A1 MITOQUINONE DERIVATIVES USED AS MITOCHONDRIALLY TARGETED ANTIOXIDANTS Antipodean Pharmaceuticals, Inc. (US) 2006-06-07 EP disclosed
WO-2005019232-A1 MITOQUINONE DERIVATIVES USED AS MITOCHONDRIALLY TARGETED ANTIOXIDANTS ANTIPODEAN PHARMACEUTICALS, INC. (US) 2005-03-03 WO disclosed
WO-2005019233-A1 MITOQUINONE DERIVATIVES USED AS MITOCHONDRIALLY TARGETED ANTIOXIDANTS ANTIPODEAN PHARMACEUTICALS, INC. (US) 2005-03-03 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 (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-20060229278-A1 Mitoquinone derivatives used as mitochondrially targeted antioxidants COQ8A, MFN2, SQOR TNKS2 1340/4885IMPDH2 2348/4885IMPDH1 2732/4885
US-20080161267-A1 Mitoquinone Derivatives Used as Mitochondrially Targeted Antioxidants PRDX5, MT-ND2, TXN2 TNKS2 986/4885IMPDH2 1971/4885IMPDH1 2181/4885
US-20070238709-A1 Mitoquinone Derivatives Used as Mitochondrially Targeted Antioxidants PRDX5, TXNRD2, TXN2 TNKS2 1124/4885IMPDH2 1860/4885IMPDH1 2009/4885
US-20170246195-A1 MITOQUINONE DERIVATIVES USED AS MITOCHONDRIALLY TARGETED ANTIOXIDANTS PRDX5, TXN2, MT-ND2 TNKS2 975/4885IMPDH2 2157/4885IMPDH1 2361/4885
US-20150283106-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS FOR OPHTHALMIC USE NOS1, NOS3, NOS2 TNKS2 2255/4885IMPDH2 414/4885IMPDH1 375/4885

“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.