SCHEMBL12900613

SCHEMBL12900613

CCNCc1cc(C)ccc1-c1cc(CC(=O)OCC)ccc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP4Z1 Q86W10 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL135903 0.88 PTGDR2 (0.46) L3MBTL1
SCHEMBL137139 0.83 PPID (0.40) NLRP3MAPTSMN1; SMN2MAPK1L3MBTL1
SCHEMBL137327 0.82 GAA (0.46) MAPT
SCHEMBL16501894 0.82 KDM1A (0.38) NLRP3MAPTSMN1; SMN2ALDH1A1MAPK1
SCHEMBL16501977 0.81 PDCD1LG2 (0.36) MAPTMEN1KMT2ATDP1
SCHEMBL136787 0.81 PDK2 (0.38) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL134609 0.81 PTGDR2 (0.47) L3MBTL1
SCHEMBL12900596 0.80 SRC (0.42) NLRP3MAPTSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL136363 0.79 ABL1 (0.43) L3MBTL1LMNA
SCHEMBL137672 0.79 MAPT (0.41) NLRP3MAPTSMN1; SMN2ALDH1A1HSD17B10

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-9572785-B2 DP2 antagonist and uses thereof BRICKELL BIOTECH, INC. (US) 2017-02-21 US disclosed
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF BRICKELL BIOTECH, INC. 2016-05-19 US disclosed
US-8815917-B2 DP2 antagonist and uses thereof PANMIRA PHARMACEUTICALS, LLC (US) 2014-08-26 US disclosed
US-20110034558-A1 DP2 Antagonist and Uses Thereof AMIRA PHARMACEUTICALS, INC. (US) 2011-02-10 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 (2 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-20110034558-A1 DP2 Antagonist and Uses Thereof PTGER2, PTGES2, PTGDR2 NLRP3 1845/4885MAPT 4646/4885SMN1; SMN2 1223/4885
US-20160136119-A1 DP2 ANTAGONIST AND USES THEREOF PTGER2, PTGES2, PTGDR2 NLRP3 1845/4885MAPT 4646/4885SMN1; SMN2 1223/4885

“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.