SCHEMBL10064801

SCHEMBL10064801

CC(C)(C)c1ccc(OC(F)F)c(OC(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PDE4A P27815 8/20 0.42
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ATM Q13315 1/20 0.36
FFAR1 O14842 1/20 0.36
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL12781664 0.93 CA1 (0.40) CA1CA2CA9PDE4AALDH1A1
SCHEMBL12781659 0.93 CA1 (0.40) CA1CA2CA9PDE4AALDH1A1
SCHEMBL17708148 0.91 PDE4A (0.43) CA1CA2CA9PDE4AALDH1A1
SCHEMBL14804216 0.86 KDM4E (0.47) CA1CA2CA9PDE4AALDH1A1
SCHEMBL12293342 0.85 PDE4D (0.46) CA1CA2CA9PDE4APDE4D
SCHEMBL12390581 0.85 CACNA1H (0.43) CA1CA2CA9PDE4AALDH1A1
SCHEMBL25563738 0.85 CA1 (0.39) CA1CA2CA9PDE4AALDH1A1
SCHEMBL14446691 0.85 CA1 (0.39) CA1CA2CA9ALDH1A1HPGD
SCHEMBL12169279 0.83 CYP2C19 (0.50) CA1CA2CA9ALDH1A1HPGD
SCHEMBL14121868 0.83 ALDH1A1 (0.52) CA1CA2CA9PDE4AALDH1A1

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-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623898-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 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-20120010414-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC18A2, SLC1A2, SLC6A1 CA1 1259/4885CA2 1853/4885CA9 2832/4885

“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.