SCHEMBL2011114

SCHEMBL2011114

Cc1cc(C)c2cc3c(cc2n1)C=CC(C)(C)O3

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
CA7 P43166 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HIF1A Q16665 5/20 0.38
EPAS1 Q99814 5/20 0.38
CYP1A2 P05177 1/20 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
Fumaric Acid SCHEMBL17095081 0.90 ALDH1A1 (0.42) ALDH1A1HPGDPOLBKDM4ENPC1
Maleic Acid SCHEMBL17095080 0.90 ALDH1A1 (0.42) ALDH1A1HPGDPOLBKDM4ENPC1
SCHEMBL17829468 0.86 ALDH1A1 (0.40) ALDH1A1HPGDPOLBKDM4ENPC1
SCHEMBL2007092 0.86 KDM4E (0.40) ALDH1A1HPGDPOLBKDM4ENPC1
Malic Acid SCHEMBL17781489 0.83 ALDH1A1 (0.37) ALDH1A1HPGDPOLBKDM4ENPC1
SCHEMBL2012483 0.82 ALDH1A1 (0.38) ALDH1A1HPGDPOLBKDM4ENPC1
SCHEMBL12580424 0.82 ALDH1A1 (0.38) ALDH1A1HPGDPOLBKDM4ENPC1
SCHEMBL17787598 0.81 POLB (0.34) POLBCYP1A2
SCHEMBL2010551 0.79 HIF1A (0.43) ALDH1A1HPGDPOLBKDM4ENPC1
SCHEMBL12580746 0.79 ALDH1A1 (0.44) ALDH1A1HPGDPOLBKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9738654-B2 Method for producing nitrogen-containing heterocyclic N-oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-22 US claimed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 US claimed
EP-3026047-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND Nissan Chemical Industries, Ltd. (JP) 2016-06-01 EP claimed
US-20150266887-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC N-OXIDE COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-09-24 US claimed
US-9738654-B2 Method for producing nitrogen-containing heterocyclic N-oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-22 US disclosed
US-9738654-B2 Method for producing nitrogen-containing heterocyclic N-oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-22 US disclosed
US-9738654-B2 Method for producing nitrogen-containing heterocyclic N-oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-22 US disclosed
US-9738654-B2 Method for producing nitrogen-containing heterocyclic N-oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-08-22 US disclosed
US-9464095-B2 Production method of high-purity nitrogen-containing heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-11 US disclosed
US-9464095-B2 Production method of high-purity nitrogen-containing heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-11 US disclosed
US-9464095-B2 Production method of high-purity nitrogen-containing heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-10-11 US disclosed
US-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND NISSAN CHEMICAL INDUSTIES, LTD. (JP) 2016-06-16 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-7652008-B2 2,2,7,9-tetramethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-3-ol; 3-hydroxy-2,2,9-trimethyl-4-[(2-phenylethyl)amino]-3,4-dihydro-2H-pyrano[2,3-g]quinolin-7-carbonitrile; have the prolongation effect on refractory period NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-01-26 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-01-03 US disclosed
EP-1732929-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS Nissan Chemical Industries, Ltd. (JP) 2006-12-20 EP disclosed
WO-2005090357-A1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2005-09-29 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 (3 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-20160168161-A1 METHOD FOR PRODUCING HETEROCYCLIC COMPOUND H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NAT1, NAT10 ALDH1A1 2486/4885HPGD 93/4885POLB 3181/4885
US-20150266887-A1 METHOD FOR PRODUCING NITROGEN-CONTAINING HETEROCYCLIC N-OXIDE COMPOUND NOS3, NOS2, SQOR ALDH1A1 1143/4885HPGD 79/4885POLB 2412/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ALDH1A1 2087/4885HPGD 2882/4885POLB 3614/4885

“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.