SCHEMBL3149835

SCHEMBL3149835

O=C(O)/C=C/c1ccc(F)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.59
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
NFKB1 P19838 2/20 0.56
CA4 P22748 2/20 0.56
TDO2 P48775 2/20 0.55
KDM4E B2RXH2 3/20 0.50
HTT P42858 1/20 0.50
AR P10275 1/20 0.50
TYR P14679 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
HDAC3 O15379 1/20 0.46
CA12 O43570 1/20 0.46
AKR1B10 O60218 1/20 0.46
LMNA P02545 1/20 0.46
TTR P02766 1/20 0.46
MMP1 P03956 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL3149846 1.00 MIF (0.59) MIFCA1CA2NFKB1CA4
SCHEMBL3140440 0.87 CA1 (0.58) MIFCA1CA2NFKB1CA4
SCHEMBL3140447 0.87 CA1 (0.58) MIFCA1CA2NFKB1CA4
SCHEMBL1404851 0.84 LMNA (0.58) MIFKDM4EARTYRLMNA
SCHEMBL1404850 0.84 LMNA (0.58) MIFKDM4EARTYRLMNA
SCHEMBL29728702 0.84 LMNA (0.58) MIFKDM4EARTYRLMNA
SCHEMBL1920415 0.83 MIF (0.71) MIFCA1CA2NFKB1CA4
SCHEMBL29407005 0.83 MIF (0.71) MIFCA1CA2NFKB1CA4
SCHEMBL716629 0.83 MIF (0.71) MIFCA1CA2NFKB1CA4
SCHEMBL716630 0.83 MIF (0.71) MIFCA1CA2NFKB1CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma ASTRAZENECA AB (SE) 2010-04-01 US disclosed
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 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-20100081692-A1 Novel 1-Benzyl-4-Piperidinamines that are Useful in the Treatment of COPD and Asthma CCR1, CCR4, CCR10 MIF 2780/4885CA1 4317/4885CA2 2091/4885

“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.