SCHEMBL7253544

SCHEMBL7253544

CC1(C)Oc2ccccc2C2OC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
KCNE1 P15382 1/20 0.41
KCNQ1 P51787 1/20 0.41
ABCB1 P08183 3/20 0.35
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2B P41595 1/20 0.33
LMNA P02545 2/20 0.32
CNR1 P21554 1/20 0.31
OPRD1 P41143 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL13380562 1.00 IDO1 (0.44) IDO1KCNE1KCNQ1ABCB1HTT
SCHEMBL16377489 0.79 KCNE1 (0.38) IDO1KCNE1KCNQ1ABCB1HTT
SCHEMBL5868357 0.78 IDO1 (0.40) IDO1ABCB1ALDH1A1GAAHTR2B
SCHEMBL6274078 0.78 IDO1 (0.40) IDO1ABCB1ALDH1A1GAAHTR2B
SCHEMBL5868353 0.78 IDO1 (0.40) IDO1ABCB1ALDH1A1GAAHTR2B
SCHEMBL7299082 0.77 ABCC9 (0.36) IDO1
SCHEMBL482484 0.77 KCNE1 (0.47) KCNE1KCNQ1HTTHTR2BLMNA
SCHEMBL8947007 0.77 IDO1 (0.36) IDO1KCNE1KCNQ1ABCB1
SCHEMBL8947014 0.77 IDO1 (0.36) IDO1KCNE1KCNQ1ABCB1
SCHEMBL8947011 0.77 IDO1 (0.36) IDO1KCNE1KCNQ1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014207766-A1 OXONE-ACETONE MEDIATED METAL FREE PREPARATION OF SYN-DIOLS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-12-31 WO disclosed
CN-1854135-B Heteronuclear compound with dicyandiamide connection and its medicinal use LI WEIZHANG 2013-06-12 CN disclosed
US-7812184-B2 Production method of optically active epoxy compound, complex used for the method and production method of the complex NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-10-12 US disclosed
US-20080234502-A1 Production method of optically active epoxy compound, complex used for the method and production method of the complex NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-20080234502-A1 Production method of optically active epoxy compound, complex used for the method and production method of the complex NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-09-25 US disclosed
US-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
WO-2003014113-A1 NOVEL BENZOPYRAN COMPOUNDS AND PROCESS FOR THEIR PREPARATION AND USE GLENMARK PHARMACEUTICALS LIMITED (IN) 2003-02-20 WO disclosed
WO-2002042285-A1 NOVEL PROCESS FOR THE PREPARATION OF 4-BENZOYLAMINO CHROMAN DERIVATIVES SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-30 WO disclosed
CN-1218050-A Sulfonamide-substituted benzopyran derivates processes for their preparation, their use as medicament, and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-06-02 CN disclosed
CN-1212964-A Sulfonic acid amide substituted benzodihydropyrane processes for their preparation, their use as medicament and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-04-07 CN disclosed
US-5162553-A Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1992-11-10 US disclosed
CN-1057461-A The preparation method of 1-benzopyran derivatives and heterocyclic analogs thereof SQUIBB & SONS INC (US) 1992-01-01 CN disclosed
US-5066816-A PROCESSES FOR PREPARING OPTICALLY ACTIVE 3,4-DIHYDRO-3,4-EPOXY-2H-1-BENZOPYRAN COMPOUNDS AND INTERMEDIATES THEREFOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-11-19 US disclosed
EP-0386640-A2 Processes for preparing optically active 3,4-dihydro-3,4-epoxy-2H-1-benzopyran compounds and intermediates therefor YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-09-12 EP disclosed
EP-0344747-A1 Benzopyran derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-12-06 EP disclosed
US-4251537-A Hypotensive 3,4-dihydro-2,2-dimethyl-4-amino-2H-benzo[b]pyran-3-ols BEECHAM GROUP LIMITED (GB) 1981-02-17 US disclosed
US-4110347-A ANTIHYPERTENSIVE BEECHAM GROUP LIMITED (GB) 1978-08-29 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 (1 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-20080234502-A1 Production method of optically active epoxy compound, complex used for the method and production method of the complex EPOR, OSTC, CYP51A1 IDO1 2534/4885KCNE1 4283/4885KCNQ1 4793/4885

“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.