SCHEMBL548723

SCHEMBL548723

CC(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 3/20 0.45
KMT2A Q03164 3/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
EPHX2 P34913 5/20 0.39
NPC1 O15118 1/20 0.36
LMNA P02545 4/20 0.35
MAPT P10636 2/20 0.35
SLC6A2 P23975 2/20 0.34
HTR2B P41595 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
CYP3A4 P08684 2/20 0.34
HPGD P15428 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL548653 0.84 MEN1 (0.59) MEN1KMT2APOLBGAAGFER
SCHEMBL549423 0.78 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL548561 0.78 LMNA (0.40) MEN1KMT2APOLBGAAGFER
SCHEMBL548584 0.77 MEN1 (0.49) MEN1KMT2APOLBGAAGFER
SCHEMBL27451017 0.75 MEN1 (0.65) MEN1KMT2APOLBGAAGFER
SCHEMBL548533 0.75 MEN1 (0.50) MEN1KMT2APOLBGAAGFER
SCHEMBL4677956 0.74 MEN1 (0.53) MEN1KMT2APOLBGAAGFER
SCHEMBL549403 0.74 MEN1 (0.42) MEN1KMT2APOLBGAAGFER
SCHEMBL549745 0.74 MEN1 (0.36) MEN1KMT2APOLBGAAGFER
SCHEMBL3752942 0.74 MEN1 (0.52) 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.