SCHEMBL12412416

SCHEMBL12412416

CC(C)(C)c1cc(F)cc2c1OCOC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CXCR5 P32302 1/20 0.39
TDP1 Q9NUW8 2/20 0.36
MAPK8 P45983 1/20 0.36
APEX1 P27695 1/20 0.34
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
F11 P03951 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL12401784 0.81 SMN1; SMN2 (0.38) GALR3NR2F2ALDH1A1POLB
SCHEMBL12401760 0.80 TSHR (0.40) GALR3NR2F2ALDH1A1KDM4ENPC1
SCHEMBL12775849 0.78 GALR3 (0.47) GALR3NR2F2ALDH1A1KDM4ENPC1
SCHEMBL4803010 0.77 ALDH1A1 (0.45) GALR3NR2F2ALDH1A1KDM4ENPC1
SCHEMBL19505262 0.76 PARP1 (0.50) NR3C1PGRNR3C2
SCHEMBL5024437 0.75 GALR3 (0.47) GALR3NR2F2ALDH1A1KDM4ENPC1
SCHEMBL1515558 0.74 ALDH1A1 (0.45) GALR3NR2F2ALDH1A1KDM4ENPC1
SCHEMBL3873651 0.74 ALDH1A1 (0.45) GALR3NR2F2ALDH1A1KDM4ENPC1
SCHEMBL12844622 0.73 GALR3 (0.44) GALR3NR2F2ALDH1A1KDM4ENPC1
SCHEMBL15077055 0.73 ALDH1A1 (0.42) GALR3NR2F2ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440706-B2 Inhibitors of serine proteases VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-14 US disclosed
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-07 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof ROSKAMP RESEARCH LLC (US) 2008-03-06 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 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 (7 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-20080058330-A1 Compounds and Combinations Thereof for Inhibiting Beta-Amyloid Production and Methods of Use Thereof APP, PSEN1, PSEN2 GALR3 2635/4885NR2F2 1929/4885ALDH1A1 3749/4885
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GALR3 2543/4885NR2F2 2130/4885ALDH1A1 3939/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GALR3 2543/4885NR2F2 2130/4885ALDH1A1 3939/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 GALR3 2543/4885NR2F2 2130/4885ALDH1A1 3939/4885
US-20110165120-A1 INHIBITORS OF SERINE PROTEASES PRSS1, PRSS3, PRSS2 GALR3 4799/4885NR2F2 4066/4885ALDH1A1 1374/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 GALR3 2543/4885NR2F2 2130/4885ALDH1A1 3939/4885
US-20100215735-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 GALR3 2543/4885NR2F2 2130/4885ALDH1A1 3939/4885

“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.