SCHEMBL5868082

SCHEMBL5868082

CCc1ccc2c(c1)[C@H]1O[C@H]1C(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 5/20 0.38
▸ ABCB1 P08183 5/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ PARP1 P09874 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ KCNE1 P15382 3/20 0.33
▸ KCNQ1 P51787 3/20 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
SCHEMBL9359331 1.00 KCNA5 (0.38) KCNA5ABCB1IDO1PARP1CNR1
SCHEMBL5868080 1.00 KCNA5 (0.38) KCNA5ABCB1IDO1PARP1CNR1
SCHEMBL6275053 1.00 KCNA5 (0.38) KCNA5ABCB1IDO1PARP1CNR1
SCHEMBL2828711 0.81 SELL (0.42) ABCB1
SCHEMBL5868353 0.79 IDO1 (0.40) ABCB1IDO1
SCHEMBL5868357 0.79 IDO1 (0.40) ABCB1IDO1
SCHEMBL6274078 0.79 IDO1 (0.40) ABCB1IDO1
SCHEMBL8947007 0.78 IDO1 (0.36) ABCB1IDO1KCNE1KCNQ1
SCHEMBL8947011 0.78 IDO1 (0.36) ABCB1IDO1KCNE1KCNQ1
SCHEMBL482484 0.78 KCNE1 (0.47) KCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7041700-B2 Substituted benzopyran derivatives against arrhythmia NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-09 — — US disclosed
US-20040152763-A1 Substituted benzopyran derivatives against arrhythmia NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-08-05 — — 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-20040152763-A1 Substituted benzopyran derivatives against arrhythmia CBR1, KCNH1, SCN8A KCNA5 37/4885ABCB1 214/4885IDO1 2253/4885

“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.

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