SCHEMBL3159761

SCHEMBL3159761

O=C(OCc1ccccc1)c1ccc(F)c(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
LMNA P02545 3/20 0.56
PTGER1 P34995 1/20 0.55
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MRGPRX4 Q96LA9 2/20 0.53
HPGD P15428 2/20 0.50
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMPD1 P17405 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL8512033 0.89 SLC6A2 (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3721195 0.87 HPGD (0.58) KMT2ALMNAPTGER1RAB9ANPC1
SCHEMBL5605127 0.87 PTGER1 (0.71) KMT2APTGER1RAB9ANPC1SMN1; SMN2
SCHEMBL31197222 0.87 PTGER1 (0.71) KMT2APTGER1RAB9ANPC1SMN1; SMN2
SCHEMBL3960907 0.87 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL30141105 0.87 KMT2A (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6693656 0.85 KMT2A (0.64) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL22015271 0.84 LMNA (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20830739 0.83 HPGD (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL20482380 0.83 KMT2A (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA

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 KMT2A 2733/4885TDP1 4797/4885SLC6A2 3545/4885

“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.