SCHEMBL1239997

SCHEMBL1239997

CC1(C)OB(c2ccc(CC(=O)OCc3ccccc3)cc2)OC1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MAPK1 P28482 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LIPG Q9Y5X9 4/20 0.48
LPL P06858 3/20 0.48
DGAT1 O75907 1/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
P4HB P07237 1/20 0.45
PAM P19021 1/20 0.44
F11 P03951 2/20 0.44
ENPP2 Q13822 1/20 0.44
LIPE Q05469 1/20 0.43
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL10228 0.83 LIPG (0.54) LIPGLPLP4HBF11F2
SCHEMBL22871651 0.83 LIPG (0.54) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL21383623 0.83 LIPG (0.53) LIPGLPLDGAT1KEAP1NFE2L2
SCHEMBL16196202 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1LIPGLPL
SCHEMBL16342895 0.83 KMT2A (0.58) ALDH1A1L3MBTL1LIPGLPLDGAT1
SCHEMBL14709908 0.82 LIPG (0.49) LIPGLPLDGAT1KEAP1NFE2L2
SCHEMBL21383621 0.82 LIPG (0.54) LIPGLPLKEAP1NFE2L2P4HB
SCHEMBL1240002 0.81 LIPG (0.55) LIPGLPLP4HBF11F2
SCHEMBL14934909 0.81 KEAP1 (0.55) LIPGLPLDGAT1KEAP1NFE2L2
SCHEMBL16030765 0.81 KEAP1 (0.55) LIPGLPLDGAT1KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3225623-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2017-10-04 EP disclosed
US-9655904-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2467377-B1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS INC (US) 2016-12-28 EP disclosed
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS INC (US) 2016-05-12 US disclosed
US-9126940-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators ARRAY BIOPHARMA, INC. (US) 2014-08-21 US disclosed
EP-2467377-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS Ventirx Pharmaceuticals, Inc. (US) 2012-06-27 EP disclosed
US-20110092485-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-04-21 US disclosed
WO-2011022508-A2 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2011-02-24 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 (3 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-20140234376-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR1, TLR7 ALDH1A1 1667/4885MAPK1 1690/4885L3MBTL1 1982/4885
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 ALDH1A1 2553/4885MAPK1 1530/4885L3MBTL1 1591/4885
US-20110092485-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 ALDH1A1 1667/4885MAPK1 1690/4885L3MBTL1 1982/4885

“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.