SCHEMBL548777

SCHEMBL548777

CC(C)(C)c1c(C23CC4CC(CC(C4)C2)C3)ccc(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
GFER P55789 1/20 0.39
NPC1 O15118 1/20 0.37
RARB P10826 4/20 0.37
RARA P10276 3/20 0.37
RARG P13631 3/20 0.37
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL27418465 0.89 CA2 (0.36) MEN1KMT2AGAAPOLBGFER
SCHEMBL549725 0.84 MEN1 (0.40) MEN1KMT2AGAAPOLBGFER
SCHEMBL548996 0.81 MEN1 (0.48) MEN1KMT2AGAAPOLBGFER
SCHEMBL27448682 0.80 MEN1 (0.40) MEN1KMT2AGAAPOLBGFER
SCHEMBL548713 0.79 MEN1 (0.36) MEN1KMT2AGAAPOLBGFER
SCHEMBL548980 0.79 MEN1 (0.42) MEN1KMT2AGAAPOLBGFER
SCHEMBL548660 0.78 MEN1 (0.38) MEN1KMT2AGAAPOLBGFER
SCHEMBL548699 0.77 MEN1 (0.40) MEN1KMT2AGAAPOLBGFER
SCHEMBL27449140 0.77 CA2 (0.50) MEN1KMT2AGAAPOLBGFER
SCHEMBL548743 0.77 MEN1 (0.42) MEN1KMT2AGAAPOLBGFER

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 3737/4885GAA 2496/4885

“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.