SCHEMBL3260982

SCHEMBL3260982

CC(C)Cc1cccc(C/N=N/OC(=O)O/N=N/Cc2cccc(CC(C)C)c2O)c1O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.57
GABRB2 P47870 3/20 0.57
ELANE P08246 2/20 0.37
CTSG P08311 1/20 0.37
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
GSK3B P49841 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
SCHEMBL3173883 0.89 GABRA1 (0.48) GABRA1GABRB2ELANECTSG
SCHEMBL3258418 0.85 GABRA1 (0.55) GABRA1GABRB2
SCHEMBL3261080 0.83 GABRA1 (0.44) GABRA1GABRB2
SCHEMBL3258406 0.81 GABRA1 (0.42) GABRA1GABRB2ELANECTSG
SCHEMBL3261977 0.81 ALDH1A1 (0.39) GABRA1GABRB2
SCHEMBL3259025 0.77 PTPN1 (0.39) ELANECTSG
SCHEMBL3259308 0.77 CA2 (0.44) GABRA1GABRB2
SCHEMBL864085 0.76 GABRA1 (1.00) GABRA1GABRB2ELANECTSGCDK1
SCHEMBL17942366 0.74 GABRA1 (0.67) GABRA1GABRB2ELANECTSG
SCHEMBL3190724 0.73 HPGD (0.37) GABRA1GABRB2ELANE

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 GABRA1 3932/4885GABRB2 4443/4885ELANE 4464/4885

“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.