SCHEMBL7706095

SCHEMBL7706095

COc1cc(C)c(OC)c(OC)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
CYP3A4 P08684 3/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.42
GFER P55789 2/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA9 Q16790 1/20 0.41
PTGS2 P35354 1/20 0.38
TUBB1 Q9H4B7 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
CYP19A1 P11511 1/20 0.36
NQO2 P16083 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
GAA P10253 1/20 0.35
TUBB4A P04350 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
SCHEMBL1635426 0.87 ACHE (0.50) ACHECYP3A4MAPTPOLBGFER
SCHEMBL29793476 0.87 ACHE (0.50) ACHECYP3A4MAPTPOLBGFER
SCHEMBL10584398 0.85 ACHE (0.48) ACHECYP3A4MAPTPOLBGFER
Iodide SCHEMBL8935417 0.85 ACHE (0.48) ACHECYP3A4MAPTPOLBGFER
Iodobenzene SCHEMBL28037264 0.83 ABCB1 (0.40) ACHECYP3A4MAPTPOLBGFER
Bromide SCHEMBL8935512 0.83 ACHE (0.46) ACHECYP3A4MAPTPOLBGFER
Bromide SCHEMBL8935516 0.83 ACHE (0.46) ACHECYP3A4MAPTPOLBGFER
SCHEMBL1243920 0.82 ACHE (0.56) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL3674233 0.82 ACHE (0.56) ACHECYP3A4MAPTCA9PTGS2
SCHEMBL30835564 0.82 ACHE (0.56) ACHECYP3A4MAPTCA9PTGS2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US claimed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP claimed
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
CN-104994845-A Quinone based nitric oxide donating compounds for ophthalmic use NICOX SA 2015-10-21 CN 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
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-6355826-B1 HALOMETHYLATION AN AROMATIC ALDEHYDE COMPOUND AND SALT FORMATION THE GOODYEAR TIRE & RUBBER COMPANY 2002-03-12 US disclosed
EP-0903338-A2 Synthesis of stable nitrile oxide compounds THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-03-24 EP disclosed
US-5319063-A Crosslinking a phenolic compound, a trifunctional aromatic nucleus residue in presence of an MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-06-07 US disclosed
US-5216112-A PHENOLIC RESIN AND METHOD FOR PREPARING SAME MITSUI TOATSU CHEMICALS, INC. (JP) 1993-06-01 US disclosed
EP-0475605-A2 Phenolic resin and method for preparing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-18 EP 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 (2 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 ACHE 1138/4885CYP3A4 759/4885MAPT 2671/4885
US-20140342998-A1 QUINONE BASED NITRIC OXIDE DONATING COMPOUNDS NOS2, NQO1, NOS1 ACHE 719/4885CYP3A4 715/4885MAPT 2605/4885

“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.