SCHEMBL3590960

SCHEMBL3590960

CC1(C)Oc2cc3nccnc3cc2[C@H](NC2CCCC2)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ ABCC9 O60706 6/20 0.34
▸ ABCB1 P08183 6/20 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
SCHEMBL8438962 0.86 KCNH2 (0.38) KCNH2ABCC9ABCB1
SCHEMBL3593880 0.81 KCNH2 (0.40) KCNH2ABCC9ABCB1
SCHEMBL12580728 0.80 ABCB1 (0.35) ABCC9ABCB1
SCHEMBL2009961 0.79 ABCB1 (0.34) ABCC9ABCB1
Hydrochloric Acid SCHEMBL2887554 0.78 ABCB1 (0.34) ABCC9ABCB1
SCHEMBL12580635 0.73 IDO1 (0.40) ABCC9ABCB1
SCHEMBL2889227 0.73 ABCC9 (0.30) ABCC9
Hydrochloric Acid SCHEMBL2883645 0.72 IDO1 (0.39) ABCC9ABCB1
Hydrochloric Acid SCHEMBL2883647 0.72 IDO1 (0.39) ABCC9ABCB1
SCHEMBL9030169 0.72 HTT (0.38) ABCC9

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 KCNH2 28/4885ABCC9 10/4885ABCB1 647/4885

“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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