SCHEMBL684711

SCHEMBL684711

COc1c(C)c(C)c(OC)c(C(C)=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.49
CYP3A4 P08684 1/20 0.48
IMPDH2 P12268 2/20 0.41
PSMG3 Q9BT73 1/20 0.39
ABCB1 P08183 1/20 0.37

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
SCHEMBL9752628 0.85 CYP3A4 (0.52) KCNA3CYP3A4PSMG3ABCB1
SCHEMBL21931371 0.85 CYP3A4 (0.47) KCNA3CYP3A4IMPDH2PSMG3ABCB1
SCHEMBL25952538 0.85 CYP3A4 (0.52) KCNA3CYP3A4PSMG3ABCB1
SCHEMBL25952524 0.85 CYP3A4 (0.52) KCNA3CYP3A4PSMG3ABCB1
SCHEMBL678486 0.84 KCNA3 (0.53) KCNA3CYP3A4
SCHEMBL29745831 0.83 CYP3A4 (0.46) KCNA3CYP3A4PSMG3ABCB1
SCHEMBL11106706 0.83 CYP3A4 (0.48) KCNA3CYP3A4IMPDH2PSMG3
SCHEMBL16666701 0.81 CYP3A4 (0.52) KCNA3CYP3A4IMPDH2PSMG3ABCB1
SCHEMBL11121530 0.79 CYP3A4 (0.44) KCNA3CYP3A4
SCHEMBL9752570 0.79 CYP3A4 (0.44) KCNA3CYP3A4

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-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT TOHOKU UNIVERSITY (JP) 2013-05-23 US disclosed
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT JAPAN ROYAL JELLEY CO., LTD. (JP) 2011-11-24 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-20130129832-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 KCNA3 4482/4885CYP3A4 4098/4885IMPDH2 3786/4885
US-20110287106-A1 COGNITIVE IMPAIRMENT AMELIORANT CHAT, ACHE, PSEN1 KCNA3 4482/4885CYP3A4 4098/4885IMPDH2 3786/4885

“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.