SCHEMBL3168485

SCHEMBL3168485

OCc1ccc(F)c(OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
MRGPRX4 Q96LA9 2/20 0.49
PTGER1 P34995 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM1A O60341 2/20 0.44
S1PR5 Q9H228 1/20 0.44
LIPE Q05469 1/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL15779342 0.88 CYP4F2 (0.53) CYP4F2CYP4A11MRGPRX4SMN1; SMN2NPC1
SCHEMBL29510827 0.87 S1PR5 (0.56) MRGPRX4PTGER1SMN1; SMN2TSHRNPC1
SCHEMBL1462187 0.87 S1PR5 (0.56) MRGPRX4PTGER1SMN1; SMN2TSHRNPC1
SCHEMBL30280404 0.84 SLC2A1 (0.56) MRGPRX4SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL584781 0.84 SLC2A1 (0.56) MRGPRX4SMN1; SMN2TSHRNPC1RAB9A
SCHEMBL18787264 0.83 KDM1A (0.48) MRGPRX4PTGER1NPC1RAB9AMAPT
SCHEMBL29703994 0.83 KDM1A (0.48) MRGPRX4PTGER1NPC1RAB9AMAPT
SCHEMBL9454115 0.83 MRGPRX4 (0.46) MRGPRX4PTGER1TSHRNPC1MAPT
SCHEMBL31139252 0.83 MRGPRX4 (0.52) CYP4F2CYP4A11MRGPRX4SMN1; SMN2TSHR
SCHEMBL28399722 0.83 LMNA (0.52) MRGPRX4PTGER1NPC1HPGDMAPT

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 8 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
WO-2010111353-A1 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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 CYP4F2 4600/4885CYP4A11 3026/4885MRGPRX4 43/4885

“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.