SCHEMBL2188973

SCHEMBL2188973

CCCC(C(=O)O)c1c2n(c3ccccc13)CC(=O)CC2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 3/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM2 P08172 2/20 0.36
CHRNA7 P36544 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.34
PTGDR Q13258 4/20 0.34
CMA1 P23946 1/20 0.33
NQO1 P15559 1/20 0.33
TBXA2R P21731 2/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12002786 0.82 CYP2C9 (0.36) PSIP1PTGDR2PTGDRTBXA2R
SCHEMBL2187156 0.80 PTGDR2 (0.39) PSIP1PTGDR2PTGDRTBXA2R
SCHEMBL2188342 0.78 PTGDR2 (0.41) PSIP1PTGDR2PTGDRTBXA2R
SCHEMBL2189056 0.77 PTGDR2 (0.41) PSIP1PTGDR2PTGDRTBXA2R
SCHEMBL2188128 0.72 KMT2A (0.41) PTGDR2TBXA2RKMT2A
SCHEMBL12002967 0.71 AGTR2 (0.42) PSIP1PTGDR2PTGDR
SCHEMBL12002810 0.71 DRD4 (0.41) PSIP1PTGDR2PTGDR
SCHEMBL2190622 0.71 PTGDR2 (0.48) PTGDR2PTGDR
SCHEMBL15428830 0.71 PTGDR2 (0.53) PTGDR2PTGDRTBXA2R
SCHEMBL2188978 0.70 PSIP1 (0.33) PSIP1KDM4EALDH1A1HSD17B10CMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR PSIP1 2484/4885KDM4E 4397/4885ALDH1A1 1134/4885

“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.