SCHEMBL548910

SCHEMBL548910

Cc1c(C23CC4CC(CC(C4)C2)C3)cc(C(C)C)c(O)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 1/20 0.33
GABRA1 P14867 5/20 0.33
GABRB1 P18505 4/20 0.33
GABRB2 P47870 3/20 0.33
RARA P10276 4/20 0.32
IKBKB O14920 2/20 0.32
RARB P10826 2/20 0.31
RARG P13631 2/20 0.31
FAAH O00519 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 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
SCHEMBL548704 0.88 MEN1 (0.34) CA1CA2MEN1POLBGAA
SCHEMBL549876 0.88 CA1 (0.36) CA1CA2MEN1POLBGAA
SCHEMBL548714 0.83 MEN1 (0.39) MEN1POLBGAAGFERKMT2A
SCHEMBL549745 0.82 MEN1 (0.36) CA1CA2MEN1POLBGAA
SCHEMBL548622 0.81 MEN1 (0.41) MEN1POLBGAAGFERKMT2A
SCHEMBL549398 0.81 MEN1 (0.38) MEN1POLBGAAGFERKMT2A
SCHEMBL548561 0.79 LMNA (0.40) CA1CA2MEN1POLBGAA
SCHEMBL548527 0.76 MEN1 (0.42) MEN1POLBGAAGFERKMT2A
SCHEMBL548829 0.76 MEN1 (0.42) MEN1POLBGAAGFERKMT2A
SCHEMBL549434 0.76 MEN1 (0.42) MEN1POLBGAAGFERKMT2A

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 CA1 450/4885CA2 1907/4885MEN1 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.