SCHEMBL12465670

SCHEMBL12465670

COC(=O)C(C(C)=O)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CES1 P23141 1/20 0.49
MAPT P10636 4/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
ADRB3 P13945 2/20 0.46
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL19762742 0.86 MAPK1 (0.51) MAPK1POLBMEN1KMT2ACES1
SCHEMBL11811932 0.85 MAPT (0.54) MAPK1POLBMEN1KMT2ACES1
SCHEMBL17948714 0.81 POLB (0.54) MAPK1POLBMEN1KMT2ACES1
SCHEMBL1738 0.79 MAPT (0.43) MAPK1MEN1KMT2ACES1MAPT
SCHEMBL28780782 0.78 KMT2A (0.50) KMT2ACES1LMNATDP1ALDH1A1
SCHEMBL28689257 0.78 MAPT (0.53) MAPK1POLBMEN1KMT2ACES1
SCHEMBL2874789 0.77 SLC6A3 (0.52) MAPK1POLBMEN1KMT2AMAPT
SCHEMBL27490020 0.77 MAPK1 (0.61) MAPK1MEN1KMT2ACES1MAPT
SCHEMBL13172626 0.76 NPC1 (0.50) MAPK1POLBMEN1KMT2AMAPT
SCHEMBL3703967 0.75 CA1 (0.43) MAPK1POLBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785442-B2 Compound as antagonist of lysophosphatidic acid receptor, composition, and use thereof CUREGENIX, INC. (CN) 2014-07-22 US disclosed
US-8785442-B2 Compound as antagonist of lysophosphatidic acid receptor, composition, and use thereof CUREGENIX, INC. (CN) 2014-07-22 US disclosed
US-8785442-B2 Compound as antagonist of lysophosphatidic acid receptor, composition, and use thereof CUREGENIX, INC. (CN) 2014-07-22 US disclosed
US-20140031353-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX, INC. (CN) 2014-01-30 US disclosed
US-20140031353-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX, INC. (CN) 2014-01-30 US disclosed
US-20140031353-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX, INC. (CN) 2014-01-30 US disclosed
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 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-20140031353-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF LPAR1, LPAR2, LPAR5 MAPK1 2366/4885POLB 4225/4885MEN1 1722/4885

“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.