SCHEMBL2004735

SCHEMBL2004735

COc1cc(CC(=O)O)ccc1Oc1ccc2[nH]c(C)cc2c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
PTGDR Q13258 7/20 0.48
PTGDR2 Q9Y5Y4 7/20 0.48
CA5A P35218 1/20 0.44
GAA P10253 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TTR P02766 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL2006635 0.89 CYP3A4 (0.46) CYP3A4PTGDRPTGDR2ALDH1A1TDP1
SCHEMBL2010966 0.89 CYP3A4 (0.45) CYP3A4PTGDRPTGDR2CA5AGAA
SCHEMBL12570790 0.85 PTGDR (0.59) CYP3A4PTGDRPTGDR2CA5AGAA
SCHEMBL12570797 0.83 CYP3A4 (0.60) CYP3A4PTGDRPTGDR2CA5AGAA
SCHEMBL12627640 0.81 CYP3A4 (0.58) CYP3A4PTGDRPTGDR2CA5AGAA
SCHEMBL2002798 0.81 ALDH1A1 (0.38) CYP3A4GAAALDH1A1KDM4EMAPT
SCHEMBL2010090 0.81 FBP1 (0.43) CYP3A4PTGDRPTGDR2ALDH1A1TDP1
SCHEMBL12570798 0.81 TTR (0.48) CYP3A4PTGDRPTGDR2CA5AGAA
SCHEMBL2006831 0.80 MAPT (0.46) CYP3A4PTGDRPTGDR2ALDH1A1TDP1
SCHEMBL14015527 0.80 MAPT (0.42) CYP3A4PTGDRPTGDR2ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed
EP-2164828-B1 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC (US) 2013-03-27 EP disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
US-7960567-B2 Compounds and methods useful for treating asthma and allergic inflammation AMGEN INC. (US) 2011-06-14 US disclosed
EP-2164828-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION Amgen Inc. (US) 2010-03-24 EP disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
US-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. 2008-12-18 US disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 WO disclosed
WO-2008137027-A2 COMPOUNDS AS CRTH2 AND/OR PGD2 RECEPTORS MODULATORS AND THEIR USE FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION AMGEN INC. (US) 2008-11-13 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-20080312270-A1 COMPOUNDS AND METHODS USEFUL FOR TREATING ASTHMA AND ALLERGIC INFLAMMATION CCL11, LTC4S, TSLP CYP3A4 659/4885PTGDR 296/4885PTGDR2 253/4885

“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.