SCHEMBL552988

SCHEMBL552988

CC1(C)OB(c2cccc(CNC(=O)c3ccco3)c2)OC1(C)C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
PKM P14618 2/20 0.48
MAPT P10636 1/20 0.48
BLM P54132 1/20 0.48
LPL P06858 1/20 0.48
LIPG Q9Y5X9 1/20 0.48
POLB P06746 2/20 0.45
ESR1 P03372 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
APEX1 P27695 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL12523750 0.83 LIPG (0.53) ALDH1A1HPGDKMT2AMEN1LPL
SCHEMBL171732 0.83 LIPG (0.53) ALDH1A1HPGDKMT2AMAPTLPL
SCHEMBL23732881 0.81 LIPG (0.51) ALDH1A1HPGDLPLLIPGCA1
SCHEMBL3189084 0.81 LIPG (0.54) ALDH1A1HPGDMAPTLPLLIPG
SCHEMBL552898 0.81 CA1 (0.54) KMT2ALPLLIPGCA1CA2
SCHEMBL16266238 0.80 ALDH1A1 (1.00) ALDH1A1HPGDKMT2AMEN1PKM
SCHEMBL552799 0.79 HDAC6 (0.50) KMT2AMAPTLPLLIPGCA1
SCHEMBL30519748 0.79 LIPG (0.49) ALDH1A1HPGDLPLLIPGPOLB
SCHEMBL15013491 0.79 LIPG (0.49) ALDH1A1HPGDLPLLIPGPOLB
SCHEMBL31259610 0.79 HDAC2 (0.56) ALDH1A1HPGDKMT2APOLBCA1

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-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 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 (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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ALDH1A1 2634/4885HPGD 1795/4885KMT2A 629/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA ALDH1A1 2634/4885HPGD 1795/4885KMT2A 629/4885

“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.