SCHEMBL547739

SCHEMBL547739

CC(Oc1cc(C23CC4CC(CC(C4)C2)C3)ccc1C12CC3CC(CC(C3)C1)C2)C1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
LMNA P02545 4/20 0.36
ALDH1A1 P00352 2/20 0.36
HDAC11 Q96DB2 1/20 0.34
EPHX2 P34913 2/20 0.33
NPC1 O15118 1/20 0.33
CNR2 P34972 4/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.31
HIF1A Q16665 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
RARA P10276 2/20 0.30
RARB P10826 2/20 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
SCHEMBL548815 0.90 KMT2A (0.39) KMT2AMEN1POLBGAAGFER
SCHEMBL549103 0.88 KMT2A (0.38) KMT2AMEN1POLBGAAGFER
SCHEMBL549007 0.86 HDAC11 (0.37) KMT2AMEN1LMNAHDAC11RARA
SCHEMBL548673 0.85 HDAC11 (0.36) KMT2AMEN1LMNAHDAC11RARA
SCHEMBL548977 0.84 KMT2A (0.37) KMT2AMEN1POLBGAAGFER
SCHEMBL549833 0.84 KMT2A (0.37) KMT2AMEN1POLBGAAGFER
SCHEMBL548855 0.84 HDAC11 (0.36) KMT2AMEN1LMNAHDAC11RARA
SCHEMBL548748 0.84 HDAC11 (0.31) KMT2AMEN1POLBGAAGFER
SCHEMBL549048 0.84 MEN1 (0.32) KMT2AMEN1POLBGAAGFER
SCHEMBL548687 0.83 MEN1 (0.33) KMT2AMEN1POLBGAAGFER

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 3737/4885MEN1 3412/4885POLB 3648/4885

“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.