SCHEMBL548854

SCHEMBL548854

Oc1c(C23CC4CC(CC(C4)C2)C3)c(C23CC4CC(CC(C4)C2)C3)c(O)c(C23CC4CC(CC(C4)C2)C3)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 4/20 0.39
LMNA P02545 5/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.37
GRIN2D O15399 2/20 0.36
GRIN3B O60391 2/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2A Q12879 2/20 0.36
GRIN2B Q13224 2/20 0.36
GRIN2C Q14957 2/20 0.36
GRIN3A Q8TCU5 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
SLC22A2 O15244 1/20 0.35

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
SCHEMBL548725 0.97 GAA (0.42) POLBGAAMEN1GFERKMT2A
SCHEMBL549525 0.95 GAA (0.41) POLBGAAMEN1GFERKMT2A
SCHEMBL548807 0.92 GAA (0.42) POLBGAAMEN1GFERKMT2A
SCHEMBL549901 0.90 GAA (0.41) POLBGAAMEN1GFERKMT2A
SCHEMBL549417 0.89 MEN1 (0.37) POLBGAAMEN1GFERKMT2A
SCHEMBL549647 0.87 GAA (0.36) POLBGAAMEN1GFERKMT2A
SCHEMBL549632 0.87 MEN1 (0.36) POLBGAAMEN1GFERKMT2A
SCHEMBL549624 0.85 MEN1 (0.35) POLBGAAMEN1GFERKMT2A
SCHEMBL548594 0.84 MEN1 (0.37) POLBGAAMEN1GFERKMT2A
SCHEMBL549604 0.84 MEN1 (0.37) POLBGAAMEN1GFERKMT2A

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 POLB 3648/4885GAA 2496/4885MEN1 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.