SCHEMBL548996

SCHEMBL548996

Oc1c(C23CC4CC(CC(C4)C2)C3)ccc(C23CC4CC(CC(C4)C2)C3)c1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.42
RARB P10826 4/20 0.41
RARA P10276 4/20 0.41
RARG P13631 4/20 0.41
EPHX2 P34913 1/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3768061 0.92 MEN1 (0.52) MEN1KMT2AGAAPOLBGFER
SCHEMBL548737 0.86 MEN1 (0.46) MEN1KMT2AGAAPOLBGFER
SCHEMBL548743 0.86 MEN1 (0.42) MEN1KMT2AGAAPOLBGFER
SCHEMBL549697 0.84 MEN1 (0.49) MEN1KMT2AGAAPOLBGFER
SCHEMBL549535 0.84 MEN1 (0.47) MEN1KMT2AGAAPOLBGFER
SCHEMBL18040211 0.84 RARB (0.45) MEN1KMT2AGAAPOLBGFER
SCHEMBL14040622 0.82 MEN1 (0.47) MEN1KMT2AGAAPOLBGFER
Formamide SCHEMBL28809453 0.82 RARB (0.44) MEN1KMT2AGAAPOLBGFER
SCHEMBL31373806 0.82 LMNA (0.45) MEN1KMT2AGAAPOLBGFER
SCHEMBL3759976 0.81 MEN1 (0.46) 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.