SCHEMBL549876

SCHEMBL549876

CC(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
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
EPHX2 P34913 2/20 0.35
GABRA1 P14867 5/20 0.34
GABRB1 P18505 4/20 0.34
GABRB2 P47870 3/20 0.34
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
FAAH O00519 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
GABRG2 P18507 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 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
SCHEMBL548910 0.88 CA1 (0.34) CA1CA2MEN1KMT2APOLB
SCHEMBL549745 0.88 MEN1 (0.36) CA1CA2MEN1KMT2APOLB
SCHEMBL548704 0.82 MEN1 (0.34) CA1CA2MEN1KMT2APOLB
SCHEMBL548561 0.81 LMNA (0.40) CA1CA2MEN1KMT2APOLB
SCHEMBL549402 0.79 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL548527 0.79 MEN1 (0.42) MEN1KMT2APOLBGAAGFER
SCHEMBL548744 0.78 MEN1 (0.44) MEN1KMT2APOLBGAAGFER
SCHEMBL548697 0.78 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL548795 0.78 MEN1 (0.36) MEN1KMT2APOLBGAAGFER
SCHEMBL549475 0.78 MEN1 (0.42) CA1CA2MEN1KMT2APOLB

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 CA1 450/4885CA2 1907/4885MEN1 3412/4885

“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.