SCHEMBL549783

SCHEMBL549783

CCCCCCc1c(C23CC4CC(CC(C4)C2)C3)cc(O)c(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.38
CYP19A1 P11511 1/20 0.36
ACE2 Q9BYF1 1/20 0.35
TYR P14679 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 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
SCHEMBL549591 0.83 CYP19A1 (0.41) ALOX5CYP19A1ACE2MEN1KMT2A
SCHEMBL549731 0.80 EPHX2 (0.38) ALOX5ACE2TYREPHX2HSD11B1
SCHEMBL548873 0.78 ALOX5 (0.39) ALOX5ACE2TYRMEN1KMT2A
SCHEMBL548588 0.76 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL27415560 0.76 TYR (0.52) ALOX5TYRMEN1KMT2APOLB
SCHEMBL549707 0.74 MEN1 (0.44) MEN1KMT2APOLBGAAGFER
SCHEMBL549629 0.74 MEN1 (0.44) MEN1KMT2APOLBGAAGFER
SCHEMBL549482 0.73 MEN1 (0.41) MEN1KMT2APOLBGAAGFER
SCHEMBL549888 0.73 MEN1 (0.41) MEN1KMT2APOLBGAAGFER
SCHEMBL549068 0.71 MEN1 (0.42) 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 ALOX5 272/4885CYP19A1 3511/4885ACE2 796/4885

“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.