SCHEMBL549630

SCHEMBL549630

CC(C)(C)c1ccc(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
EPHX2 P34913 1/20 0.33
RARB P10826 4/20 0.32
RARA P10276 3/20 0.32
RARG P13631 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CNR2 P34972 2/20 0.32
ALOX12 P18054 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL27418465 0.84 CA2 (0.36) CA2GABRA1GABRB2MEN1KMT2A
SCHEMBL27449140 0.83 CA2 (0.50) CA2GABRA1GABRB2MEN1KMT2A
SCHEMBL549883 0.81 CA2 (0.36) CA2MEN1KMT2APOLBGAA
SCHEMBL27449604 0.79 MEN1 (0.44) CA2GABRA1GABRB2MEN1KMT2A
SCHEMBL549467 0.79 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL549937 0.78 MEN1 (0.49) MEN1KMT2APOLBGAAGFER
SCHEMBL549584 0.78 MEN1 (0.36) CA2MEN1KMT2APOLBGAA
SCHEMBL548980 0.78 MEN1 (0.42) MEN1KMT2APOLBGAAGFER
SCHEMBL549623 0.78 MEN1 (0.36) CA2MEN1KMT2APOLBGAA
SCHEMBL548780 0.78 CA2 (0.38) CA2MEN1KMT2APOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110614-B2 Adamantane derivative, method for producing the same, and resin composition containing adamantane derivative IDEMITSU KOSAN CO., LTD. (JP) 2012-02-07 US disclosed
US-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN CO., LTD. (JP) 2010-03-04 US disclosed
EP-2090563-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE IDEMITSU KOSAN COMPANY LIMITED (JP) 2009-08-19 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-20100056663-A1 ADAMANTANE DERIVATIVE, METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION CONTAINING ADAMANTANE DERIVATIVE ARCN1, RTN3, CHRNA3 CA2 1907/4885GABRA1 1122/4885GABRB2 1611/4885

“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.