SCHEMBL3583727

SCHEMBL3583727

CN1C(=O)COc2cc3c(cc21)OC(C)(C)[C@H](O)[C@H]3N(CCc1ccccc1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.38
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
KCNE1 P15382 3/20 0.36
KCNQ1 P51787 3/20 0.36
KCNA5 P22460 3/20 0.35
HTR1A P08908 2/20 0.34
HTR2C P28335 2/20 0.34
PIK3CG P48736 1/20 0.33
PKM P14618 1/20 0.33
OPRM1 P35372 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL2006871 0.90 ABCB1 (0.41) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL2006874 0.83 ABCB1 (0.38) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL3601136 0.82 TP53 (0.43) ABCB1CYP3A4ALOX15
SCHEMBL2009582 0.79 ABCB1 (0.42) ABCB1KCNA5HTR1AHTR2CPKM
SCHEMBL2876669 0.79 ABCB1 (0.42) ABCB1KCNA5HTR1AHTR2CPKM
Hydrochloric Acid SCHEMBL2888914 0.79 ABCB1 (0.41) ABCB1KCNA5HTR1AHTR2CPKM
Hydrochloric Acid SCHEMBL2879891 0.79 ABCB1 (0.41) ABCB1KCNA5HTR1AHTR2CPKM
SCHEMBL2008990 0.74 ABCB1 (0.39) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL3601953 0.73 ABCB1 (0.43) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL2008987 0.73 ABCB1 (0.42) ABCB1CYP3A4ALOX15KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 ABCB1 647/4885CYP3A4 131/4885ALOX15 2356/4885

“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.