SCHEMBL4105447

SCHEMBL4105447

C=CC(=O)OC12CC3CC(C1)CC(OC(C)(C)C)(C3)C2

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.32
DPP4 P27487 1/20 0.31
CYP17A1 P05093 1/20 0.30
CYP19A1 P11511 1/20 0.30
NAAA Q02083 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL822780 0.87 ALDH1A1 (0.36) DPP8DPP9MEN1KMT2ACYP19A1
SCHEMBL2208058 0.86 MEN1 (0.36) DPP8DPP9MEN1KMT2AMAPK1
SCHEMBL15182745 0.84 DPP4 (0.32) DPP4
SCHEMBL6560570 0.83 DPP4 (0.37) MEN1KMT2ADPP4NAAAALDH1A1
SCHEMBL23974125 0.81 DPP8 (0.32) DPP8DPP9DPP4
SCHEMBL1733328 0.81 CYP17A1 (0.35) DPP8DPP9MEN1KMT2AMAPK1
SCHEMBL12432875 0.80 TSHR (0.40) MEN1KMT2ANAAAALDH1A1
SCHEMBL776350 0.80 DPP8 (0.30) DPP8DPP9
SCHEMBL19862666 0.79 CYP17A1 (0.30) DPP8DPP9CYP17A1CYP19A1
SCHEMBL12153604 0.79 GAA (0.33) DPP8DPP9MEN1KMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156854-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-06-18 US disclosed
US-7528279-B2 Adamantane derivatives and process for producing the same IDEMITSU KOSAN CO., LTD. (JP) 2009-05-05 US disclosed
US-20070129532-A1 Adamantane derivatives and process for producing the same IDEMITSU KOSAN CO., LTD (JP) 2007-06-07 US disclosed
EP-1712542-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2006-10-18 EP 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-20090156854-A1 ADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME ADH1A, ADH5, TAS1R2 DPP8 2184/4885DPP9 1134/4885MEN1 1030/4885

“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.