SCHEMBL3554567

SCHEMBL3554567

CC(Oc1ccc([N+](=O)[O-])cc1)Oc1ccccc1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 5/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 4/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
HTR2A P28223 1/20 0.43
CYP1A2 P05177 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
CXCL8 P10145 1/20 0.40

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
SCHEMBL23229157 0.83 CXCL8 (0.54) KMT2ACXCL8
SCHEMBL3554563 0.79 MAPT (0.60) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL9320810 0.77 MEN1 (0.54) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL3941649 0.74 CXCL8 (0.54) ALDH1A1LMNACXCL8
SCHEMBL9818961 0.72 MEN1 (0.51) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL11711497 0.71 MEN1 (0.54) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL9152555 0.71 MAPT (0.52) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL9152543 0.71 MAPT (0.52) ALDH1A1KMT2AMAPTLMNAMEN1
SCHEMBL10594064 0.71 ADRA2A (0.46) MAPT
SCHEMBL11781233 0.71 CXCL8 (0.40) KMT2AMEN1CYP1A2CXCL8

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 ALDH1A1 61/4885KMT2A 4045/4885MAPT 4130/4885

“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.