SCHEMBL1237998

SCHEMBL1237998

CC1(C)OB(c2ccc(C3CCOC3=O)cc2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.41
LIPG Q9Y5X9 12/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
F11 P03951 2/20 0.35
P4HB P07237 1/20 0.35
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ESR2 Q92731 1/20 0.33

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
SCHEMBL15906578 0.80 LIPG (0.47) LPLLIPGCA1CA2CA9
SCHEMBL20157779 0.75 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL16112310 0.74 LPL (0.52) LPLLIPGCA1CA2CA9
SCHEMBL576857 0.74 CYP19A1 (0.45)
SCHEMBL14804365 0.74 LPL (0.52) LPLLIPGCA1CA2CA9
SCHEMBL17548453 0.73 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL15168492 0.73 ESR2 (0.49) LPLLIPGCA1CA2CA9
SCHEMBL23319991 0.72 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL2018524 0.72 LPL (0.46) LPLLIPGCA1CA2CA9
SCHEMBL3136657 0.71 HIF1A (0.49) LPLLIPGCA1CA2CA9

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 LPL 2113/4885LIPG 1777/4885CA1 4048/4885
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 LPL 2014/4885LIPG 1775/4885CA1 4637/4885
US-20110092485-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 LPL 2113/4885LIPG 1777/4885CA1 4048/4885

“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.