SCHEMBL1678985

SCHEMBL1678985

N#CCc1ccc(-c2ccc(O)cc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.54
KIF11 P52732 1/20 0.46
ESR2 Q92731 8/20 0.46
ESR1 P03372 8/20 0.46
NEK1 Q96PY6 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
AR P10275 1/20 0.41
ABCB1 P08183 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 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
SCHEMBL19946013 0.85 ESR1 (0.46) MMP3ESR2ESR1NEK1AR
SCHEMBL29261464 0.84 CYP11B1 (0.46) MMP3KIF11ESR2ESR1NEK1
SCHEMBL31556861 0.84 CYP11B1 (0.46) MMP3KIF11ESR2ESR1NEK1
SCHEMBL31551666 0.77 CYP11B1 (0.47) ESR2ESR1NEK1CYP11B1CYP11B2
SCHEMBL14213297 0.77 KIF11 (0.50) KIF11ESR2ESR1ABCB1MEN1
SCHEMBL14409245 0.76 KIF11 (0.46) KIF11ESR2ESR1ABCB1MEN1
SCHEMBL2761139 0.76 MAOB (0.44) MMP3ESR2NEK1CYP11B1CYP11B2
SCHEMBL9543269 0.74 ESR2 (0.45) MMP3ESR2ESR1AR
SCHEMBL28667436 0.74 TYR (0.58) MMP3ESR2ESR1MEN1KMT2A
SCHEMBL29700948 0.74 IDO1 (0.48) NEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI MMP3 530/4885KIF11 4586/4885ESR2 135/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 MMP3 4755/4885KIF11 370/4885ESR2 27/4885

“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.