SCHEMBL548555

SCHEMBL548555

CC(C)(C)c1ccc(O)c(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 5/20 0.35
LMNA P02545 3/20 0.35
ALOX15 P16050 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NR1I2 O75469 1/20 0.35
CYP2C9 P11712 1/20 0.35
MIF P14174 1/20 0.35
TYR P14679 1/20 0.35
HTT P42858 1/20 0.35
NFE2L2 Q16236 1/20 0.35
EPHX2 P34913 3/20 0.35
MAPT P10636 3/20 0.35
CA2 P00918 1/20 0.34
RARB P10826 5/20 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
SCHEMBL27449604 0.89 MEN1 (0.44) MEN1KMT2APOLBGAAGFER
SCHEMBL27416252 0.87 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL548653 0.84 MEN1 (0.59) MEN1KMT2APOLBGAAGFER
SCHEMBL549826 0.83 MEN1 (0.40) MEN1KMT2APOLBGAAGFER
SCHEMBL549815 0.79 POLB (0.40) MEN1KMT2APOLBGAAGFER
SCHEMBL549630 0.78 CA2 (0.40) MEN1KMT2APOLBGAAGFER
SCHEMBL548584 0.77 MEN1 (0.49) MEN1KMT2APOLBGAAGFER
SCHEMBL548780 0.77 CA2 (0.38) MEN1KMT2APOLBGAAGFER
SCHEMBL27430296 0.75 MEN1 (0.65) MEN1KMT2APOLBGAAGFER
SCHEMBL548533 0.75 MEN1 (0.50) MEN1KMT2APOLBGAAGFER

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 MEN1 3412/4885KMT2A 3737/4885POLB 3648/4885

“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.