SCHEMBL549883

SCHEMBL549883

CC(C)(C)c1cc(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.36
CA1 P00915 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 2/20 0.36
HPN P05981 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TYR P14679 1/20 0.35
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RARB P10826 4/20 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
SCHEMBL549543 0.88 CA2 (0.34) CA2CA1MAPTALOX15HPN
SCHEMBL549623 0.88 MEN1 (0.36) CA2CA1MAPTALOX15HPN
SCHEMBL548780 0.87 CA2 (0.38) CA2CA1MAPTALOX15HPN
SCHEMBL549882 0.84 CYP2C19 (0.40) CA2CA1MAPTALOX15HPN
SCHEMBL549584 0.84 MEN1 (0.36) CA2CA1MAPTALOX15HPN
SCHEMBL549827 0.82 MEN1 (0.37) CA2CA1MAPTALOX15HPN
SCHEMBL549630 0.81 CA2 (0.40) CA2MAPTALOX15MEN1KMT2A
SCHEMBL549815 0.79 POLB (0.40) CA2CA1MAPTALOX15HPN
SCHEMBL549585 0.79 ALOX15 (0.47) MAPTALOX15MEN1KMT2APOLB
SCHEMBL549402 0.79 MEN1 (0.39) MAPTALOX15MEN1KMT2APOLB

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 1907/4885CA1 450/4885MAPT 3027/4885

“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.