SCHEMBL1508441

SCHEMBL1508441

CCOC(=O)CC(OCC)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.63
LMNA P02545 4/20 0.63
KDM4E B2RXH2 1/20 0.63
FFAR1 O14842 1/20 0.50
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
AR P10275 1/20 0.42

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
SCHEMBL8642223 0.84 MAPT (0.64) MAPTLMNAKDM4ECRHBPCRHR2
SCHEMBL7139968 0.84 MAPT (0.67) MAPTLMNAKDM4ECRHBPCRHR2
SCHEMBL5692340 0.83 MAPT (0.66) MAPTLMNAKDM4ECRHBPCRHR2
SCHEMBL1508442 0.83 MAPT (0.66) MAPTLMNAKDM4ECRHBPCRHR2
SCHEMBL5692343 0.83 MAPT (0.66) MAPTLMNAKDM4ECRHBPCRHR2
SCHEMBL7138665 0.82 MAPT (0.64) MAPTLMNAKDM4ECRHBPCRHR2
SCHEMBL7720668 0.82 MAPT (0.64) MAPTLMNAKDM4ECRHBPCRHR2
SCHEMBL27513490 0.81 FFAR1 (0.46) MAPTLMNAKDM4EFFAR1ALDH1A1
SCHEMBL1508345 0.81 FFAR1 (0.49) KDM4EFFAR1ALDH1A1
SCHEMBL1508392 0.80 FFAR1 (0.81) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
US-20110053974-A1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-03 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP 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-20110053974-A1 CARBOXYLIC ACID COMPOUND AKR1C3, SLC5A1, GPR119 MAPT 4809/4885LMNA 2035/4885KDM4E 4326/4885

“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.