SCHEMBL14715822

SCHEMBL14715822

COC(=O)Cc1ccc(OC)c(Oc2ccc([N+](=O)[O-])cc2C=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HTT P42858 1/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ERN1 O75460 1/20 0.45
KCNH2 Q12809 1/20 0.45
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 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
SCHEMBL347026 0.91 HTT (0.47) TTRALDH1A1HTTLMNAMEN1
SCHEMBL2365219 0.83 TTR (0.56) TTRALDH1A1HTTLMNAMEN1
SCHEMBL2355012 0.83 TTR (0.49) TTRALDH1A1HTTLMNAMEN1
SCHEMBL13521931 0.83 TTR (0.49) TTRALDH1A1HTTLMNAMEN1
SCHEMBL1008948 0.82 KDM4E (0.47) ALDH1A1HTTLMNAMAPTNPSR1
SCHEMBL13580745 0.82 MAPT (0.41) ALDH1A1HTTLMNAMEN1KMT2A
SCHEMBL347147 0.80 MEN1 (0.44) ALDH1A1HTTMEN1KMT2AMAPT
SCHEMBL12515659 0.79 CYP3A4 (0.58) TTRALDH1A1HTTLMNAMEN1
SCHEMBL348677 0.79 LMNA (0.44) TTRALDH1A1HTTLMNAMEN1
SCHEMBL1643183 0.79 KDM4E (0.44) HTTLMNAKMT2AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-9688624-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-06-27 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US disclosed
US-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PANMIRA PHARMACEUTICALS, LLC (US) 2013-02-28 US 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-20130053444-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGDR2, PTGES2 TTR 2547/4885ALDH1A1 739/4885HTT 2415/4885

“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.