SCHEMBL3168906

SCHEMBL3168906

O=C(NCCn1cc(C(c2ccccc2)c2ccccc2)ccc1=O)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.49
EPHX2 P34913 2/20 0.45
NAMPT P43490 1/20 0.43
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
ADRA1A P35348 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL28781868 0.86 PTGDR2 (0.51) PTGDR2EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL3169355 0.84 PTGDR2 (0.70) PTGDR2EPHX2HSD17B10NPC1TP53
SCHEMBL3165978 0.84 PTGDR2 (0.52) PTGDR2EPHX2HSD17B10NPC1TP53
SCHEMBL3164878 0.81 PTGDR2 (0.53) PTGDR2EPHX2RAB9AKDM4EHDAC6
SCHEMBL12678738 0.79 PTGDR2 (0.56) PTGDR2EPHX2HSD17B10NPC1TP53
SCHEMBL3172542 0.75 PTGDR2 (0.69) PTGDR2
SCHEMBL3166094 0.75 HDAC1 (0.47) PTGDR2EPHX2KDM4EALDH1A1HDAC6
SCHEMBL3174396 0.74 PTGDR2 (0.41) PTGDR2EPHX2DRD2DRD3MAPT
SCHEMBL3174923 0.74 PTGDR2 (0.52) PTGDR2EPHX2NPC1RAB9ASMN1; SMN2
SCHEMBL27792892 0.74 PTGDR2 (0.64) PTGDR2

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 7 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
CN-102442941-A Polycyclic acid compounds useful as crth2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2012-05-09 CN disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
CN-101636386-A Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC 2010-01-27 CN disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 WO 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 116/4885EPHX2 2100/4885NAMPT 1031/4885

“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.