SCHEMBL2005601

SCHEMBL2005601

c1ccc(C23CC4CC(C2)CC(c2ccccc2OCC2CO2)(C4)C3)c(OCC2CO2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GLA P06280 1/20 0.51
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 3/20 0.40
TSHR P16473 3/20 0.40
HIF1A Q16665 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 1/20 0.36
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL2420881 0.88 ALDH1A1 (0.44) ALDH1A1GLATDP1TP53TSHR
SCHEMBL2422987 0.86 ALDH1A1 (0.50) ALDH1A1GLATDP1TP53TSHR
SCHEMBL13082248 0.83 ALDH1A1 (0.47) ALDH1A1GLATDP1TP53TSHR
SCHEMBL2423932 0.83 ALDH1A1 (0.47) ALDH1A1GLATDP1TP53TSHR
SCHEMBL2420676 0.83 ALDH1A1 (0.47) ALDH1A1GLATDP1TP53TSHR
SCHEMBL3766011 0.82 ALDH1A1 (0.39) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6579887 0.82 ALDH1A1 (0.43) ALDH1A1GLATDP1TP53TSHR
SCHEMBL2008231 0.81 ALDH1A1 (0.55) ALDH1A1GLATDP1TP53TSHR
SCHEMBL3759809 0.81 ALDH1A1 (0.39) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6579890 0.80 KMT2A (0.45) ALDH1A1GLATDP1TP53TSHR

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 8 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-20090137775-A1 ADAMANTANE DERIVATIVE, EPOXY RESIN, AND OPTICAL ELECTRONIC MEMBER USING RESIN COMPOSITION COMPRISING THEM IDEMITSU KOSAN CO., LTD. (JP) 2009-05-28 US disclosed
US-20090137774-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-05-28 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
EP-1930327-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-06-11 EP disclosed
EP-1923416-A1 ADAMANTANE DERIVATIVE, EPOXY RESIN, AND OPTICAL ELECTRONIC MEMBER USING RESIN COMPOSITION COMPRISING THEM Idemitsu Kosan Co., Ltd. (JP) 2008-05-21 EP disclosed
JP-2006307062-A EPOXY RESIN COMPOSITION AND OPTOELECTRONIC MEMBER USING THE SAME IDEMITSU KOSAN CO LTD 2006-11-09 JP 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 (3 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-20090137774-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME GJA1, CDH1, OR10J3 ALDH1A1 154/4885GLA 2100/4885TDP1 1871/4885
US-20090137775-A1 ADAMANTANE DERIVATIVE, EPOXY RESIN, AND OPTICAL ELECTRONIC MEMBER USING RESIN COMPOSITION COMPRISING THEM ARCN1, MEP1A, EPN1 ALDH1A1 221/4885GLA 630/4885TDP1 2038/4885
US-20090062481-A1 ADAMANTANE DERIVATIVE, COMPOSITION COMPRISING THE DERIVATIVE, AND OPTICAL AND ELECTRONIC MEMBER USING THE COMPOSITION APP, ADAM17, PSD ALDH1A1 301/4885GLA 481/4885TDP1 728/4885

“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.