SCHEMBL3165757

SCHEMBL3165757

CC(C)(C)c1cccc(C/N=N/OC(=O)Oc2ccccc2)c1O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 3/20 0.36
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALOX12 P18054 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL3259308 0.89 CA2 (0.44) CA2NPSR1ATMGABRA1GABRB2
SCHEMBL3180640 0.88 GABRA1 (0.45) USP2ATMGABRA1GABRB2HPGD
SCHEMBL3174771 0.84 USP2 (0.41) USP2ATMHPGDTDP1ALDH1A1
SCHEMBL3187499 0.82 USP2 (0.37) USP2GABRA1GABRB2HPGDALDH1A1
SCHEMBL3173883 0.81 GABRA1 (0.48) USP2GABRA1GABRB2HPGDALDH1A1
SCHEMBL3190724 0.81 HPGD (0.37) CA2USP2GABRA1GABRB2HPGD
SCHEMBL3178976 0.80 ALOX5 (0.39) USP2
SCHEMBL4334985 0.79 CA2 (0.42) CA2NPSR1ATMGABRA1GABRB2
SCHEMBL3165775 0.78 USP2 (0.38) USP2NPSR1ATMHPGDTDP1
SCHEMBL3174784 0.76 HPGD (0.48) USP2NPSR1HPGDTDP1ALDH1A1

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 209/4885USP2 2908/4885NPSR1 1535/4885

“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.