SCHEMBL3169663

SCHEMBL3169663

O=C(c1ccccc1)N(C/C=C/c1cccc2c1ccn2C(=O)O)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ SMPD2 O60906 2/20 0.38
▸ CASR P41180 10/20 0.36
▸ MC4R P32245 1/20 0.33
▸ MC5R P33032 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ GLP1R P43220 1/20 0.31
▸ GCGR P47871 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3169671 1.00 PTGDR2 (0.38) PTGDR2SMPD2CASRMC4RMC5R
SCHEMBL3169353 0.87 NR1H2 (0.40) PTGDR2SMPD2CASRMAPTALDH1A1
SCHEMBL3169345 0.87 NR1H2 (0.40) PTGDR2SMPD2CASRMAPTALDH1A1
SCHEMBL3159401 0.78 MC4R (0.44) PTGDR2SMPD2CASRMC4RMC5R
SCHEMBL3159411 0.78 MC4R (0.44) PTGDR2SMPD2CASRMC4RMC5R
SCHEMBL3164884 0.76 MTNR1A (0.36) SMPD2CASRMEN1KMT2A
SCHEMBL3164869 0.76 MTNR1A (0.36) SMPD2CASRMEN1KMT2A
SCHEMBL12678730 0.73 ALDH1A1 (0.42) PTGDR2CASRMAPTALDH1A1POLB
SCHEMBL3173411 0.72 ALDH1A1 (0.37) PTGDR2CASRMAPTALDH1A1POLB
SCHEMBL3164729 0.69 PTGDR2 (0.49) PTGDR2CASRBACE1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 — — US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 — — EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 — — 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885SMPD2 1544/4885CASR 1220/4885

“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.

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