SCHEMBL2008523

SCHEMBL2008523

Oc1ccc2cc3cccc(C45CC6CC(C4)CC(c4cccc7cc8ccc(O)cc8cc47)(C6)C5)c3cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
ESR1 P03372 5/20 0.34
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
NR2E1 Q9Y466 1/20 0.34
FAAH O00519 1/20 0.34
ESR2 Q92731 4/20 0.33
CYP3A4 P08684 2/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD17B1 P14061 1/20 0.33
CYP2B6 P20813 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B2 P37059 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL2004716 0.89 FAAH (0.37) CYP1A2ESR1KMT2AMEN1FAAH
SCHEMBL2004974 0.80 CYP1A2 (0.39) CYP1A2ESR1FAAHESR2CYP3A4
SCHEMBL27628020 0.78 MEN1 (0.36) KMT2AMEN1THRBRECQLNR2E1
SCHEMBL3976012 0.73 ESR2 (0.43) CYP1A2ESR1KMT2AMEN1THRB
SCHEMBL28846099 0.71 CYP1A2 (0.38) CYP1A2KMT2AMEN1THRBRECQL
SCHEMBL2426368 0.70 KMT2A (0.43) ESR1KMT2AMEN1THRBRECQL
SCHEMBL3749653 0.70 MEN1 (0.47) ESR1KMT2AMEN1THRBRECQL
SCHEMBL2246625 0.69 MEN1 (0.36) KMT2AMEN1THRBRECQLNR2E1
SCHEMBL8570092 0.68 CYP1A2 (0.56) CYP1A2ESR1ESR2CYP3A4CLK1
SCHEMBL9778228 0.68 CYP1A2 (0.56) CYP1A2ESR1ESR2CYP3A4CLK1

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 CYP1A2 339/4885ESR1 704/4885KMT2A 1948/4885

“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.