SCHEMBL549007

SCHEMBL549007

CC(Oc1cc(C23CC4CC(CC(C4)C2)C3)c(OC(C)C2CO2)cc1C12CC3CC(CC(C3)C1)C2)C1CO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 3/20 0.37
RARA P10276 3/20 0.33
RARB P10826 3/20 0.33
RARG P13631 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
PGR P06401 1/20 0.33
HSPD1 P10809 1/20 0.33
GOT1 P17174 1/20 0.33
GLRA1 P23415 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC2 Q92769 1/20 0.32
CASP1 P29466 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 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
SCHEMBL548855 0.97 HDAC11 (0.36) HDAC11RARARARBRARGMEN1
SCHEMBL548673 0.95 HDAC11 (0.36) HDAC11RARARARBRARGMEN1
SCHEMBL549963 0.92 HDAC11 (0.34) HDAC11RARARARBRARGMEN1
SCHEMBL549953 0.88 HDAC11 (0.30) HDAC11
SCHEMBL547739 0.86 KMT2A (0.39) HDAC11RARARARBRARGMEN1
SCHEMBL548815 0.86 KMT2A (0.39) HDAC11RARARARBRARGMEN1
SCHEMBL549675 0.85 MEN1 (0.32) MEN1KMT2A
SCHEMBL549856 0.85 MEN1 (0.32) MEN1KMT2A
SCHEMBL548773 0.85 MEN1 (0.32) MEN1KMT2A
SCHEMBL549838 0.84

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 HDAC11 4520/4885RARA 1246/4885RARB 2356/4885

“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.