SCHEMBL2008987

SCHEMBL2008987

CC(C)(C)OC(=O)N(CCc1ccccc1)[C@H]1c2cc3c(cc2OC(C)(C)[C@@H]1O)NC(=O)CO3

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.42
TP53 P04637 5/20 0.40
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
PARP1 P09874 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TRPV1 Q8NER1 2/20 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
SCHEMBL3601136 0.90 TP53 (0.43) ABCB1TP53TAAR1POLBMAPT
SCHEMBL2006871 0.84 ABCB1 (0.41) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL13199561 0.79 ABCB1 (0.45) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL13199622 0.78 ABCB1 (0.44) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL2011765 0.78 ABCB1 (0.46) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL13199624 0.78 ABCB1 (0.44) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL13199634 0.77 ABCB1 (0.44) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL13199633 0.77 ABCB1 (0.44) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL13199641 0.77 ABCB1 (0.42) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL13199558 0.77 ABCB1 (0.43) ABCB1LMNACYP3A4ALOX15KCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
US-7964623-B2 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2011-06-21 US disclosed
EP-1732929-B1 TRICYCLIC BENZOPYRAN COMPOUND AS ANTI-ARRHYTHMIC AGENTS NISSAN CHEMICAL IND LTD (JP) 2010-10-20 EP disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 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

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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 ABCB1 647/4885TP53 4332/4885TAAR1 998/4885
US-20080004262-A1 Tricyclic Benzopyrane Compound as Anti-Arrhythmic Agents CBR1, CBR3, SCN8A ABCB1 580/4885TP53 4752/4885TAAR1 1212/4885

“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.