SCHEMBL3596795

SCHEMBL3596795

COc1cc2c(cc1C(Cl)(Cl)C(N)=O)OC(C)(C)[C@H](O)[C@H]2N(CCc1ccccc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ABCB1 P08183 2/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KCNE1 P15382 3/20 0.37
KCNQ1 P51787 3/20 0.37
MTNR1B P49286 3/20 0.37
KCNA5 P22460 4/20 0.35
ALOX5 P09917 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL3601953 0.86 ABCB1 (0.43) L3MBTL1ABCB1CYP3A4ALOX15KCNE1
SCHEMBL3602288 0.81 NPC1 (0.41) L3MBTL1ABCB1CYP3A4ALOX15KCNE1
SCHEMBL3599146 0.80 KCNE1 (0.40) L3MBTL1ABCB1CYP3A4ALOX15KCNE1
SCHEMBL3599142 0.80 KCNE1 (0.40) L3MBTL1ABCB1CYP3A4ALOX15KCNE1
SCHEMBL2011765 0.77 ABCB1 (0.46) L3MBTL1ABCB1CYP3A4ALOX15KCNE1
SCHEMBL13199633 0.74 ABCB1 (0.44) L3MBTL1ABCB1CYP3A4ALOX15KCNE1
SCHEMBL13199634 0.74 ABCB1 (0.44) L3MBTL1ABCB1CYP3A4ALOX15KCNE1
SCHEMBL12580677 0.73 ABCB1 (0.41) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL2012197 0.72 ABCB1 (0.42) ABCB1CYP3A4ALOX15KCNE1KCNQ1
SCHEMBL13199529 0.72 ABCB1 (0.43) 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 L3MBTL1 1562/4885ABCB1 647/4885CYP3A4 131/4885

“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.