SCHEMBL435985

SCHEMBL435985

O=Cc1cccc(OCC(=O)OCCCBr)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
PPARA Q07869 2/20 0.43
PPARG P37231 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SRC P12931 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
FURIN P09958 1/20 0.39
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL585629 0.87 MAOA (0.57) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL11782480 0.84 PPARA (0.51) MAOAMAOBPPARAPPARGNPC1
SCHEMBL15941682 0.83 MAOA (0.55) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL385690 0.82 PPARA (0.58) MAOAMAOBPPARAPPARGNPC1
SCHEMBL15899152 0.82 MAOA (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL15899210 0.82 MAOA (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL1607743 0.80 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL19633099 0.78 KDM4E (0.49) MAOAMAOBPPARAPPARGNPC1
SCHEMBL4253341 0.78 CYSLTR2 (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30724528 0.78 MAOA (0.64) MAOAMAOBNPC1RAB9ATDP1

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
EP-2595665-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE Inspire Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
US-20130131106-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
WO-2012012282-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE INSPIRE PHARMACEUTICALS, INC. (US) 2012-01-26 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 (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-20130131106-A1 BIFUNCTIONAL RHO KINASE INHIBITOR COMPOUNDS, COMPOSITION AND USE ROCK2, ROCK1, RHOA MAOA 1586/4885MAOB 1804/4885PPARA 4539/4885

“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.