SCHEMBL9254852

SCHEMBL9254852

O=c1cc(-c2ccccc2)c2ccc(CO)cc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.68
CA12 O43570 5/20 0.68
AKR1B1 P15121 2/20 0.68
MAOB P27338 2/20 0.68
ALDH2 P05091 1/20 0.68
MAOA P21397 1/20 0.68
HSD17B3 P37058 1/20 0.68
SORD Q00796 1/20 0.68
MCL1 Q07820 1/20 0.61
ALDH1A1 P00352 7/20 0.60
HPGD P15428 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
USP2 O75604 1/20 0.57
ESR1 P03372 1/20 0.55
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL9009049 0.87 CA9 (0.62) CA9CA12AKR1B1MAOBALDH2
SCHEMBL759038 0.86 CA12 (0.70) CA9CA12AKR1B1MAOBALDH2
SCHEMBL27792833 0.85 CA9 (0.51) CA9CA12AKR1B1MAOBALDH2
SCHEMBL9263020 0.83 CA9 (0.48) CA9CA12AKR1B1MAOBALDH2
SCHEMBL28186315 0.82 CA9 (0.54) CA9CA12AKR1B1MAOBALDH2
SCHEMBL2987658 0.81 CA9 (1.00) CA9CA12AKR1B1MAOBALDH2
SCHEMBL29736952 0.81 CA9 (1.00) CA9CA12AKR1B1MAOBALDH2
SCHEMBL14847284 0.81 AKR1B1 (0.57) CA9CA12AKR1B1MAOBALDH2
SCHEMBL14847288 0.81 ALDH1A1 (0.65) CA9CA12AKR1B1MAOBALDH2
SCHEMBL14079711 0.80 CA9 (0.54) CA9CA12AKR1B1MAOBALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960409-B2 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK SHARP & DOHME CORP. (US) 2011-06-14 US disclosed
US-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents MERCK CANADA INC. (CA) 2008-08-07 US disclosed
US-5424320-A Antihistamine, antiallergic, antiinflammatory and cytoprotective agents MERCK FROSST CANADA, INC. (CA) 1995-06-13 US disclosed
US-5360815-A Heteroaryl cinnamic acids as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1994-11-01 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-20080188521-A1 e.g. 4-(3-fluorophenyl)-7-({4-[1-hydroxy-1-(trifluoromethyl)propyl]-1H-1,2,3-triazol-1-yl}methyl)-2H-chromen-2-one; leukotriene biosynthesis and 5-lipoxygenase (5-LO); inhibitor; antiatherosclerotic, antiasthmatic, antiallergic, antiinflammatory and cytoprotective agents ALOX5, ALOX15, ALOX15B CA9 4570/4885CA12 4856/4885AKR1B1 296/4885

“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.