SCHEMBL548708

SCHEMBL548708

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
GAA P10253 2/20 0.73
POLB P06746 1/20 0.73
GFER P55789 1/20 0.73
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CNR2 P34972 4/20 0.46
EPHX2 P34913 2/20 0.45
THRB P10828 1/20 0.43
RECQL P46063 1/20 0.43
NR2E1 Q9Y466 1/20 0.43
NPC1 O15118 1/20 0.42
CNR1 P21554 1/20 0.42
RARB P10826 3/20 0.41
RARA P10276 2/20 0.41
RARG P13631 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL549446 0.85 MEN1 (0.73) MEN1KMT2AGAAPOLBGFER
SCHEMBL559964 0.85 MEN1 (1.00) MEN1KMT2AGAAPOLBGFER
SCHEMBL2420330 0.83 MEN1 (0.50) MEN1KMT2AGAAPOLBGFER
SCHEMBL6033366 0.80 MEN1 (0.47) MEN1KMT2AGAAPOLBGFER
SCHEMBL8795602 0.80 MEN1 (0.47) MEN1KMT2AGAAPOLBGFER
SCHEMBL11702433 0.80 CNR2 (0.51) MEN1KMT2AGAAPOLBGFER
SCHEMBL548836 0.80 MEN1 (0.53) MEN1KMT2AGAAPOLBGFER
SCHEMBL2710580 0.79 MEN1 (0.76) MEN1KMT2AGAAPOLBGFER
SCHEMBL21002195 0.79 PLA2G4A (0.49) MEN1KMT2AGAAPOLBGFER
SCHEMBL6032984 0.79 MEN1 (0.46) MEN1KMT2AGAAPOLBGFER

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 5 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
CN-101547885-A Adamantane derivative, process for producing the same, and resin composition containing adamantane derivative IDEMITSU KOSAN CO (JP) 2009-09-30 CN 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
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 CN 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 MEN1 3412/4885KMT2A 3737/4885GAA 2496/4885

“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.