SCHEMBL548900

SCHEMBL548900

CC(C)(C)C(Oc1ccc(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c1)C1CO1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.32
CNR2 P34972 2/20 0.32
MEN1 O00255 2/20 0.32
RARA P10276 2/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
PGR P06401 1/20 0.32
HSPD1 P10809 1/20 0.32
GOT1 P17174 1/20 0.32
GLRA1 P23415 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MDH1 P40925 1/20 0.30
MDH2 P40926 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL549699 0.86
SCHEMBL549012 0.84 KMT2A (0.33) KMT2ACNR2MEN1RARARARB
SCHEMBL548681 0.83 KMT2A (0.34) KMT2ACNR2MEN1RARARARB
SCHEMBL548827 0.82
SCHEMBL548969 0.81 MEN1 (0.32) KMT2ACNR2MEN1LMNA
SCHEMBL548667 0.81 HDAC11 (0.35) KMT2AMEN1RARARARBRARG
SCHEMBL548977 0.81 KMT2A (0.37) KMT2ACNR2MEN1LMNA
SCHEMBL549788 0.80
SCHEMBL548751 0.80
SCHEMBL548876 0.79 KMT2A (0.38) KMT2AMEN1RARARARBRARG

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 KMT2A 3737/4885CNR2 718/4885MEN1 3412/4885

“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.