SCHEMBL3554563

SCHEMBL3554563

O=C(O)Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
ALDH1A1 P00352 6/20 0.60
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
KCNH2 Q12809 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL3559584 0.87 MAPT (0.57) MAPTALDH1A1DRD2DRD4DRD3
SCHEMBL3565063 0.81 ALDH1A1 (0.49) MAPTALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8650085 0.80 MAPT (0.61) MAPTALDH1A1DRD2DRD4DRD3
SCHEMBL5286113 0.80 DRD2 (0.73) MAPTALDH1A1DRD2DRD4DRD3
SCHEMBL28181003 0.79 MAPT (0.68) MAPTALDH1A1DRD2DRD4DRD3
SCHEMBL3554567 0.79 ALDH1A1 (0.45) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3553907 0.77 AR (0.61) KMT2AMEN1L3MBTL1SMN1; SMN2NPC1
SCHEMBL15869609 0.76 MAPT (0.68) MAPTALDH1A1DRD2DRD4DRD3
SCHEMBL5817865 0.76 MAPK1 (0.62) MAPTALDH1A1DRD2DRD4DRD3
SCHEMBL6228523 0.76 MAPT (0.65) MAPTALDH1A1DRD2DRD4DRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
EP-1761486-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES Merck Patent GmbH (DE) 2007-03-14 EP disclosed
WO-2006000288-A1 PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES MERCK PATENT GMBH (DE) 2006-01-05 WO 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 MAPT 4130/4885ALDH1A1 61/4885DRD2 1215/4885

“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.