SCHEMBL4258805

SCHEMBL4258805

O=C(O)c1ccc2ccc(OCc3ccccc3)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.76
NR4A2 P43354 2/20 0.69
NR4A1 P22736 1/20 0.69
NR4A3 Q92570 1/20 0.69
ALOX5 P09917 1/20 0.68
P2RY14 Q15391 1/20 0.64
SRD5A2 P31213 3/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
NPC1 O15118 1/20 0.62
MAPT P10636 1/20 0.62
PLA2G4B P0C869 1/20 0.60
CYSLTR1 Q9Y271 1/20 0.60
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57

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
SCHEMBL5921632 0.97 MRGPRX4 (0.76) MRGPRX4NR4A2NR4A1NR4A3ALOX5
Hydrochloric Acid SCHEMBL8380168 0.95 MRGPRX4 (0.74) MRGPRX4NR4A2NR4A1NR4A3ALOX5
SCHEMBL18546031 0.89 MRGPRX4 (0.69) MRGPRX4NR4A2NR4A1NR4A3NPC1
SCHEMBL4254032 0.87 ALOX5 (0.62) MRGPRX4NR4A2NR4A1NR4A3ALOX5
SCHEMBL6342568 0.87 NR4A2 (0.71) MRGPRX4NR4A2NR4A1NR4A3ALOX5
SCHEMBL9301215 0.87 MRGPRX4 (1.00) MRGPRX4NR4A2ALOX5SMN1; SMN2
SCHEMBL1777985 0.86 ALOX5 (0.60) MRGPRX4NR4A2NR4A1NR4A3ALOX5
SCHEMBL27754433 0.85 NR4A2 (0.69) MRGPRX4NR4A2NR4A1NR4A3ALOX5
SCHEMBL8984340 0.85 ALOX5 (0.92) MRGPRX4ALOX5MEN1KMT2ANPC1
SCHEMBL6652096 0.85 ALOX5 (0.63) MRGPRX4NR4A2NR4A1NR4A3ALOX5

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-20090012061-A1 A Method of Treating Cancer MERCK SHARP & DOHME CORP. 2009-01-08 US disclosed
EP-1791969-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2008-07-02 EP disclosed
EP-1791969-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2007-06-06 EP disclosed
WO-2006031607-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2006-03-23 WO disclosed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
EP-1478646-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2004-11-24 EP disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003072578-A1 AZABICYCLIC COMPOUNDS WITH ALFA7 NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY PHARMACIA & UPJOHN COMPANY (US) 2003-09-04 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 (2 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-20090012061-A1 A Method of Treating Cancer KIF5B, MKI67, KIF2C MRGPRX4 3358/4885NR4A2 3254/4885NR4A1 3494/4885
US-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 MRGPRX4 2918/4885NR4A2 259/4885NR4A1 55/4885

“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.