SCHEMBL3764530

SCHEMBL3764530

Oc1cc(O)c(O)c(C23CC4(c5cc(O)cc(O)c5O)CC(c5cc(O)cc(O)c5O)(C2)CC(c2cc(O)cc(O)c2O)(C3)C4)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.32
BACE1 P56817 1/20 0.32
PTPN1 P18031 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL3757994 0.86 MEN1 (0.34) MEN1KMT2A
SCHEMBL3765963 0.82 KMT2A (0.40) MEN1CYP3A4HPGDKMT2A
SCHEMBL4673339 0.77 MEN1 (0.46) TDP1MEN1CYP3A4HPGDKMT2A
SCHEMBL3752388 0.72 TDP1 (0.40) NQO1BACE1TDP1MEN1CYP3A4
SCHEMBL3759822 0.71 TYR (0.39)
SCHEMBL67497 0.69 BACE1 (0.54) NQO1BACE1PTPN1TDP1MEN1
SCHEMBL3752236 0.67 ALOX5AP (0.35) MEN1KMT2A
SCHEMBL3764005 0.67 FTO (0.31) MEN1KMT2A
SCHEMBL3844976 0.67 TYR (0.35) CYP3A4
SCHEMBL3757837 0.67 ALDH1A1 (0.50) TDP1MEN1CYP3A4HPGDKMT2A

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 NQO1 1347/4885BACE1 184/4885PTPN1 4163/4885

“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.