SCHEMBL3854899

SCHEMBL3854899

OC1=c2ccccc2=C2C=CC=CC2O1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.36

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
SCHEMBL10725489 0.79 NQO1 (0.32) NQO1
SCHEMBL11256631 0.79
SCHEMBL11269884 0.79
SCHEMBL11352281 0.72
SCHEMBL10751581 0.72
SCHEMBL10730755 0.71
SCHEMBL9411519 0.71
SCHEMBL9411475 0.71
SCHEMBL9411419 0.71
SCHEMBL11497032 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363164-A1 Hydroxide-Catalyzed Formation Of Silicon-Oxygen Bonds By Dehydrogenative Coupling Of Hydrosilanes And Alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-11-25 US claimed
EP-3865491-A1 SILYL ETHERS AS PRODUCTS OF THE HYDROXIDE-CATALYZED FORMATION OF SILICON-OXYGEN BONDS BY DEHYDROGENATIVE COUPLING OF HYDROSILANES AND ALCOHOLS California Institute of Technology (US) 2021-08-18 EP claimed
US-10927065-B2 Silylations of aromatic substrates with base-activated organosilanes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-02-23 US claimed
US-10781221-B2 Preparation of aromatic-substituted silylamines by the dehydrogenative coupling of aromatic-substituted amine N—H and Si—H bonds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-09-22 US claimed
EP-3177630-B1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INST OF TECHN (US) 2019-10-23 EP claimed
US-20190218232-A1 Preparation Of Aromatic-Substituted Silylamines By The Dehydrogenative Coupling Of Aromatic-Substituted Amine N-H And Si-H Bonds CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-07-18 US claimed
US-20180155271-A1 SILYLATIONS OF AROMATIC SUBSTRATES WITH BASE-ACTIVATED ORGANOSILANES CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-06-07 US claimed
US-9908840-B2 Reactions of aromatic substrates with base-activated hydrosilanes-silylations and reductive cleavage CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-03-06 US claimed
US-9809607-B2 Silylation of aromatic heterocycles by earth abundant transition-metal-free catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-11-07 US claimed
US-9764995-B2 Silylation of aromatic heterocycles by disilanes using potassium alkoxide catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-09-19 US claimed
US-20170088562-A1 SILYLATION OF AROMATIC HETEROCYCLES BY DISILANES USING POTASSIUM ALKOXIDE CATALYSTS NATIONAL SCIENCE FOUNDATION 2017-03-30 US claimed
WO-2014055586-A1 TRANSITION-METAL FREE REDUCTIVE CLEAVAGE OF AROMATIC C-O, C-N, AND C-S BONDS BY ACTIVATED SILANES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-04-10 WO claimed
EP-3303350-B1 BASE-CATALYZED SILYLATION OF TERMINAL OLEFINIC C-H BONDS CALIFORNIA INST OF TECHN (US) 2023-11-22 EP disclosed
EP-3419982-B1 NEW STABLE SILYLATING REAGENTS CALIFORNIA INST OF TECHN (US) 2023-11-15 EP disclosed
US-11773116-B2 Hydrosilylamines and fluorosilylamines and methods of making the same CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-10-03 US disclosed
US-11753421-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-09-12 US disclosed
WO-2007130306-A2 ORTHO-METALLATED HAFNIUM COMPLEXES OF IMIDAZOLE LIGANDS DOW GLOBAL TECHNOLOGIES INC. (US) 2007-11-15 WO disclosed
US-5498419-A SIDE EFFECT REDUCTION PARS HARRY G (US) 1996-03-12 US disclosed
WO-1995033429-A1 FUMARATE SALT OF 4-(DIETHYL-3-(1-METHYLOCTYL)- 7, 8, 9, 10-TETRAHYDRO-6, 6, 9-TRIMETHYL-6H-DIBENZO[B, D]PYRAN-1-OL, 4-(DIETHYL-AMINO)BUTYRIC ACID ESTER PARS HARRY G (US) 1995-12-14 WO disclosed
EP-0221293-B1 7,8,9,10-Tetrahydro-6-oxo-6H-dibenzo[b,d]pyranyloxy-propanes PENNWALT CORPORATION (US) 1989-03-08 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 (8 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-10927065-B2 Silylations of aromatic substrates with base-activated organosilanes TYR, DDC, TPST2 NQO1 456/4885
US-20180155271-A1 SILYLATIONS OF AROMATIC SUBSTRATES WITH BASE-ACTIVATED ORGANOSILANES TYR, DDC, TPST2 NQO1 456/4885
US-10781221-B2 Preparation of aromatic-substituted silylamines by the dehydrogenative coupling of aromatic-substituted amine N—H and Si—H bonds HNMT, HRH3, ALKBH3 NQO1 489/4885
US-20190218232-A1 Preparation Of Aromatic-Substituted Silylamines By The Dehydrogenative Coupling Of Aromatic-Substituted Amine N-H And Si-H Bonds HRH3, HNMT, HNRNPH3 NQO1 559/4885
US-20210363164-A1 Hydroxide-Catalyzed Formation Of Silicon-Oxygen Bonds By Dehydrogenative Coupling Of Hydrosilanes And Alcohols SORD, ADH1A, ADH1C NQO1 495/4885
US-11753421-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 NQO1 297/4885
US-20170088562-A1 SILYLATION OF AROMATIC HETEROCYCLES BY DISILANES USING POTASSIUM ALKOXIDE CATALYSTS KCNH3, KCNH2, KCNH1 NQO1 970/4885
US-11773116-B2 Hydrosilylamines and fluorosilylamines and methods of making the same HNMT, PNMT, BHMT2 NQO1 784/4885

“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.