SCHEMBL2004716

SCHEMBL2004716

Oc1ccc2c(C34CC5CC(C3)CC(c3cccc6cc(O)ccc36)(C5)C4)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.37
ESR1 P03372 6/20 0.35
ESR2 Q92731 5/20 0.35
TLR8 Q9NR97 1/20 0.35
CYP1A2 P05177 1/20 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
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CNR2 P34972 1/20 0.33
ALOX5AP P20292 1/20 0.33
EPHX2 P34913 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33

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
SCHEMBL2008523 0.89 CYP1A2 (0.38) FAAHESR1ESR2CYP1A2MEN1
SCHEMBL2004921 0.78 ALOX5AP (0.36) FAAHESR1ESR2TLR8CYP1A2
SCHEMBL2426368 0.74 KMT2A (0.43) ESR1MEN1POLBGAAGFER
SCHEMBL3749653 0.74 MEN1 (0.47) ESR1MEN1POLBGAAGFER
SCHEMBL13004815 0.74 NQO2 (0.46) FAAHMEN1POLBGAAGFER
SCHEMBL2087563 0.72 CNR2 (0.43) ESR1MEN1POLBGAAGFER
SCHEMBL3976012 0.71 ESR2 (0.43) ESR1ESR2CYP1A2MEN1KMT2A
SCHEMBL3757968 0.71 KMT2A (0.40) FAAHESR1MEN1POLBGAA
SCHEMBL237723 0.71 GRIN2D (0.43) FAAHESR1MEN1POLBGAA
SCHEMBL3043614 0.71 SLC6A3 (0.41) MEN1KMT2AGRIN2DGRIN3BGRIN1

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-7960483-B2 Adamantane derivative, composition comprising the derivative, and optical and electronic member using the composition IDEMITSU KOSAN CO., LTD. (JP) 2011-06-14 US disclosed
US-20090062481-A1 ADAMANTANE DERIVATIVE, COMPOSITION COMPRISING THE DERIVATIVE, AND OPTICAL AND ELECTRONIC MEMBER USING THE COMPOSITION IDEMITSU KOSAN CO., LTD. (JP) 2009-03-05 US disclosed
EP-1985617-A1 ADAMANTANE DERIVATIVE, COMPOSITION COMPRISING THE DERIVATIVE, AND OPTICAL AND ELECTRONIC MEMBER USING THE COMPOSITION Idemitsu Kosan Co., Ltd. (JP) 2008-10-29 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-20090062481-A1 ADAMANTANE DERIVATIVE, COMPOSITION COMPRISING THE DERIVATIVE, AND OPTICAL AND ELECTRONIC MEMBER USING THE COMPOSITION APP, ADAM17, PSD FAAH 2116/4885ESR1 704/4885ESR2 989/4885

“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.