SCHEMBL3259308

SCHEMBL3259308

CC(C)(C)c1cccc(C/N=N/OC(=O)O/N=N/Cc2cccc(C(C)(C)C)c2O)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ALOX12 P18054 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
IAPP P10997 2/20 0.31
HSPA5 P11021 1/20 0.31
NAMPT P43490 1/20 0.31
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL3165757 0.89 CA2 (0.37) CA2GABRA1GABRB2ALOX12ATM
SCHEMBL3258418 0.85 GABRA1 (0.55) CA2GABRA1GABRB2ALDH1A1IAPP
SCHEMBL3261977 0.81 ALDH1A1 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL3258406 0.78 GABRA1 (0.42) GABRA1GABRB2ALOX5PTGS2IAPP
SCHEMBL3261080 0.77 GABRA1 (0.44) CA2GABRA1GABRB2PTGS1TSHR
SCHEMBL3260982 0.77 GABRA1 (0.57) GABRA1GABRB2
SCHEMBL3259025 0.74 PTPN1 (0.39)
SCHEMBL4332805 0.74 CA2 (0.52) CA2GABRA1GABRB2ALOX12ATM
SCHEMBL57139 0.74 GABRA1 (0.67) CA2GABRA1GABRB2ALOX12ATM
SCHEMBL3259322 0.72 GRIN2B (0.39) NPSR1ALDH1A1SMN1; SMN2

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-8952189-B2 Process for preparing diaryl carbonates or alkyl aryl carbonates from dialkyl carbonates BAYER MATERIALSCIENCE AG (DE) 2015-02-10 US disclosed
US-20100261928-A1 PROCESS FOR PREPARING DIARYL CARBONATES OR ALKYL ARYL CARBONATES FROM DIALKYL CARBONATES BAYER MATERIALSCIENCE AG (DE) 2010-10-14 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-20100261928-A1 PROCESS FOR PREPARING DIARYL CARBONATES OR ALKYL ARYL CARBONATES FROM DIALKYL CARBONATES HDHD5, AHR, AGL CA2 209/4885GABRA1 3932/4885GABRB2 4443/4885

“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.