SCHEMBL5120798

SCHEMBL5120798

CC(C)(C)C(C(=O)O)n1c(SCCCc2ccccc2)nc2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.59
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5114774 0.88 PTGDR2 (0.47) PTGDR2L3MBTL1ALDH1A1LMNANPSR1
SCHEMBL5107629 0.86 PTGDR2 (0.46) PTGDR2L3MBTL1ALDH1A1LMNANPSR1
SCHEMBL5122394 0.86 PTGDR2 (0.46) PTGDR2L3MBTL1ALDH1A1LMNAHPGD
SCHEMBL5114024 0.86 PTGDR2 (0.45) PTGDR2L3MBTL1ALDH1A1LMNANPSR1
SCHEMBL5119990 0.85 PTGDR2 (0.44) PTGDR2L3MBTL1ALDH1A1LMNANPSR1
SCHEMBL5109967 0.85 PTGDR2 (0.44) PTGDR2L3MBTL1ALDH1A1LMNANPSR1
SCHEMBL5114369 0.85 PTGDR2 (0.43) PTGDR2L3MBTL1ALDH1A1LMNANPSR1
SCHEMBL5122186 0.85 NPSR1 (0.44) PTGDR2L3MBTL1LMNANPSR1MAPT
SCHEMBL5115287 0.84 PTGDR2 (0.44) PTGDR2L3MBTL1ALDH1A1LMNANPSR1
SCHEMBL5122051 0.84 PTGDR2 (0.61) PTGDR2MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US disclosed
US-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists ACTELION PHARMACEUTICALS,LTD. (CH) 2008-05-08 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-20080108638-A1 2-Sulfanyl-Benzoimidazol-1-Yl-Acetic Acid Derivatives as Crth2 Antagonists HRH2, HRH1, HRH3 PTGDR2 12/4885L3MBTL1 4614/4885ALDH1A1 470/4885

“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.