SCHEMBL548681

SCHEMBL548681

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.34
LMNA P02545 6/20 0.33
MEN1 O00255 6/20 0.33
ALDH1A1 P00352 5/20 0.33
RARA P10276 4/20 0.33
RARB P10826 4/20 0.33
RARG P13631 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
CNR2 P34972 2/20 0.33
MAPT P10636 2/20 0.33
NR1I2 O75469 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
HDAC11 Q96DB2 1/20 0.33
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 3/20 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
SCHEMBL549012 0.87 KMT2A (0.33) KMT2ALMNAMEN1ALDH1A1RARA
SCHEMBL550095 0.85
SCHEMBL548825 0.85 MEN1 (0.34) KMT2AMEN1
SCHEMBL549894 0.84
SCHEMBL548900 0.83 KMT2A (0.32) KMT2ALMNAMEN1RARARARB
SCHEMBL550066 0.83 MEN1 (0.36) KMT2ALMNAMEN1ALDH1A1HDAC11
SCHEMBL548855 0.81 HDAC11 (0.36) KMT2ALMNAMEN1RARARARB
SCHEMBL549570 0.81
SCHEMBL549007 0.80 HDAC11 (0.37) KMT2ALMNAMEN1RARARARB
SCHEMBL547739 0.79 KMT2A (0.39) KMT2ALMNAMEN1ALDH1A1RARA

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 3737/4885LMNA 872/4885MEN1 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.