SCHEMBL3261977

SCHEMBL3261977

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
TRPA1 O75762 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
PLAU P00749 2/20 0.36
HTT P42858 2/20 0.36
PKM P14618 1/20 0.36
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34

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
SCHEMBL3174771 0.88 USP2 (0.41) ALDH1A1KDM4EHPGDHSD17B10PTGER1
SCHEMBL3258418 0.86 GABRA1 (0.55) ALDH1A1GABRA1GABRB2CA12CA1
SCHEMBL3259025 0.81 PTPN1 (0.39) EGFR
SCHEMBL3260982 0.81 GABRA1 (0.57) GABRA1GABRB2
SCHEMBL3261080 0.81 GABRA1 (0.44) HPGDGABRA1GABRB2CA1CA2
SCHEMBL16438902 0.78 HNF4A (0.44) ALDH1A1HPGDHSD17B10PLAUPTGER1
SCHEMBL20981423 0.75 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10GABRA1
SCHEMBL3180640 0.75 GABRA1 (0.45) ALDH1A1KDM4EHPGDGABRA1GABRB2
SCHEMBL21114696 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10GABRA1
SCHEMBL3261993 0.73 MTNR1A (0.49) ALDH1A1HPGDCA12CA1CA2

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 ALDH1A1 3535/4885KDM4E 164/4885HPGD 2498/4885

“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.