SCHEMBL3174780

SCHEMBL3174780

COc1ccccc1C(=O)N=NOC(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.49
HTT P42858 1/20 0.44
XBP1 P17861 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CTSD P07339 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL3261986 0.88 HPGD (0.49) HPGDHTTMAPTALDH1A1RAB9A
SCHEMBL3180654 0.85 HCRTR1 (0.45) MAPTNPSR1ALDH1A1RAB9AESR1
SCHEMBL3190739 0.85 IRAK4 (0.51) HPGDXBP1MAPTUSP2ALDH1A1
SCHEMBL3165770 0.85 USP2 (0.39) HPGDMAPTNPSR1USP2ALDH1A1
SCHEMBL3173900 0.82 ALDH1A1 (0.41) HPGDHTTXBP1MAPTNPSR1
SCHEMBL3258690 0.80 CTNNB1 (0.58) HPGDHTTMAPTNPSR1ALDH1A1
SCHEMBL7882509 0.75 HPGD (0.54) HPGDHTTMAPTALDH1A1HSD17B10
SCHEMBL2228969 0.75 HPGD (0.56) HPGDHTTXBP1MAPTNPSR1
SCHEMBL9846507 0.75 USP2 (0.53) HPGDMAPTUSP2ALDH1A1HSD17B10
SCHEMBL3174784 0.74 HPGD (0.48) HPGDHTTMAPTNPSR1USP2

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 HPGD 2498/4885HTT 1154/4885XBP1 3298/4885

“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.