SCHEMBL16699727

SCHEMBL16699727

C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=Cc2ccccc2)c(C)c1.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=Cc2ccccc2)c(C)c1.Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru](Cl)(Cl)=Cc2ccccc2)c(C)c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 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
SCHEMBL133552 1.00 BACE1 (0.30) BACE1
SCHEMBL1535723 0.99 BACE1 (0.31) BACE1
SCHEMBL4604431 0.88
SCHEMBL1942951 0.87 BACE1 (0.32) BACE1
SCHEMBL4605446 0.87
SCHEMBL2384831 0.85 TSHR (0.34)
SCHEMBL29649091 0.85
SCHEMBL1535715 0.84
SCHEMBL1535718 0.83
SCHEMBL4650164 0.83 BACE1 (0.31) BACE1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137779-A1 CURABLE EPOXY RESIN COMPOSITION AND CURED PRODUCT THEREOF DAICEL CORPORATION (JP) 2016-05-19 US disclosed
US-20150133629-A1 DIEPOXY COMPOUND AND METHOD FOR PRODUCING SAME DAICEL CORPORATION (JP) 2015-05-14 US 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-20150133629-A1 DIEPOXY COMPOUND AND METHOD FOR PRODUCING SAME DHPS, DPY30, ALOX5 BACE1 4388/4885

“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.