SCHEMBL3758532

SCHEMBL3758532

c1cc(OCC2CO2)c(C23CC4(c5c(OCC6CO6)ccc(OCC6CO6)c5OCC5CO5)CC(c5c(OCC6CO6)ccc(OCC6CO6)c5OCC5CO5)(C2)CC(c2c(OCC5CO5)ccc(OCC5CO5)c2OCC2CO2)(C3)C4)c(OCC2CO2)c1OCC1CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GLA P06280 1/20 0.46
TSHR P16473 4/20 0.45
TP53 P04637 3/20 0.45
HIF1A Q16665 2/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
VDR P11473 1/20 0.33
PTPN1 P18031 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL3757829 0.83 ALDH1A1 (0.45) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL679596 0.82 ALDH1A1 (0.58) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL3761864 0.81 ALDH1A1 (0.51) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL3762678 0.79 ALDH1A1 (0.42) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL3761731 0.78 ALDH1A1 (0.41) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL28564253 0.78 ALDH1A1 (0.53) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL3759495 0.77 ALDH1A1 (0.47) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL3758414 0.76 ALDH1A1 (0.53) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL548974 0.76 ALDH1A1 (0.39) ALDH1A1GLATSHRTP53HIF1A
SCHEMBL3759809 0.76 ALDH1A1 (0.39) ALDH1A1GLATSHRTP53HIF1A

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-8084650-B2 Adamantane derivative, resin composition containing same, and optoelectronic member and sealing agent for electronic circuit using those IDEMITSU KOSAN CO., LTD. (JP) 2011-12-27 US disclosed
US-20100298491-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE IDEMITSU KOSAN CO., LTD. (JP) 2010-11-25 US disclosed
EP-1985616-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE 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-20100298491-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE AOC1, ASIC1, ICAM1 ALDH1A1 10/4885GLA 2037/4885TSHR 4688/4885

“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.