SCHEMBL19569167

SCHEMBL19569167

COCCOC(=O)c1cc(C(C)C)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.47
GLRA1 P23415 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 2/20 0.43
HDAC8 Q9BY41 2/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
RXRA P19793 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
APP P05067 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 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
SCHEMBL31363066 0.89 GLRA1 (0.49) TSHRL3MBTL1GLRA1ALDH1A1CYP3A4
SCHEMBL1148717 0.87 GLRA1 (0.49) GLRA1ALDH1A1HTTHDAC8SMPD1
SCHEMBL1018517 0.84 GLRA1 (0.44) GLRA1ALDH1A1HTTHDAC8SMPD1
SCHEMBL383740 0.82 FOLH1 (0.55) L3MBTL1GLRA1ALDH1A1RXRAPOLB
SCHEMBL1019564 0.82 HPGD (0.49) GLRA1ALDH1A1HTTHDAC8SMPD1
SCHEMBL383729 0.81 MAOB (0.55) TSHRL3MBTL1GLRA1CYP3A4TDP1
SCHEMBL382283 0.80 GLRA1 (0.60) L3MBTL1GLRA1TDP1RXRAMAPT
SCHEMBL30779582 0.79 SGMS2 (0.62) ALDH1A1PKMMAPT
SCHEMBL30779557 0.79 SGMS2 (0.62) L3MBTL1GLRA1ALDH1A1MAPK1HTT
SCHEMBL21644540 0.79 SGMS2 (0.62) L3MBTL1GLRA1ALDH1A1MAPK1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS SYNTA PHARMACEUTICALS CORP. 2017-11-09 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-20170320837-A1 METHOD FOR TREATING INFLAMMATORY DISORDERS TNF, IL2, IL5 TSHR 3754/4885L3MBTL1 4488/4885GLRA1 4211/4885

“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.