SCHEMBL549423

SCHEMBL549423

Cc1c(O)cc(C(C)C)c(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
EPHX2 P34913 3/20 0.35
CNR2 P34972 7/20 0.33
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
CNR1 P21554 4/20 0.32
NPC1 O15118 1/20 0.32
IKBKB O14920 1/20 0.31
RARA P10276 1/20 0.31
ACHE P22303 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL549791 0.80 MEN1 (0.43) MEN1KMT2APOLBGAAGFER
SCHEMBL548704 0.79 MEN1 (0.34) MEN1KMT2APOLBGAAGFER
SCHEMBL548763 0.79 MEN1 (0.42) MEN1KMT2APOLBGAAGFER
SCHEMBL549745 0.78 MEN1 (0.36) MEN1KMT2APOLBGAAGFER
SCHEMBL548723 0.78 MEN1 (0.45) MEN1KMT2APOLBGAAGFER
SCHEMBL548910 0.76 CA1 (0.34) MEN1KMT2APOLBGAAGFER
SCHEMBL549434 0.76 MEN1 (0.42) MEN1KMT2APOLBGAAGFER
SCHEMBL27417752 0.75 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL547956 0.74 MEN1 (0.47) MEN1KMT2APOLBGAAGFER
SCHEMBL549482 0.74 MEN1 (0.41) 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 5 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
CN-101547885-A Adamantane derivative, process for producing the same, and resin composition containing adamantane derivative IDEMITSU KOSAN CO (JP) 2009-09-30 CN 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
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 CN 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.