SCHEMBL548873

SCHEMBL548873

CCCCCCc1cc(C23CC4CC(CC(C4)C2)C3)c(O)c(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.39
PTGS2 P35354 6/20 0.39
EPHX2 P34913 1/20 0.37
TYR P14679 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
FAAH O00519 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
BID P55957 2/20 0.33
BCL2L1 Q07817 2/20 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
SCHEMBL27415560 0.80 TYR (0.52) ALOX5PTGS2EPHX2TYRMEN1
SCHEMBL548730 0.79 MEN1 (0.37) MEN1TP53CYP3A4MAPTALOX15
SCHEMBL549783 0.78 ALOX5 (0.38) ALOX5EPHX2TYRMEN1TP53
SCHEMBL549858 0.76 MEN1 (0.44) EPHX2MEN1TP53CYP3A4MAPT
SCHEMBL549731 0.75 EPHX2 (0.38) ALOX5EPHX2TYRACE2
SCHEMBL549591 0.73 CYP19A1 (0.41) ALOX5EPHX2MEN1HTTKMT2A
SCHEMBL549660 0.72 MEN1 (0.44) EPHX2MEN1TP53CYP3A4MAPT
SCHEMBL549482 0.71 MEN1 (0.41) MEN1TP53CYP3A4MAPTALOX15
SCHEMBL23754806 0.69 NPC1 (0.37) PTGS2MEN1CYP3A4HTTKMT2A
SCHEMBL549608 0.69 MEN1 (0.39) EPHX2MEN1TP53CYP3A4MAPT

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 272/4885PTGS2 1043/4885EPHX2 238/4885

“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.