SCHEMBL528206

SCHEMBL528206

CC(C)(C)C(=O)OCCOc1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
SRC P12931 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FBP1 P09467 1/20 0.41
POLB P06746 1/20 0.40
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
PPARA Q07869 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRB P10828 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
SCHEMBL527911 0.84 MAOA (0.51) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL15629946 0.82 ALDH1A1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2PPARA
SCHEMBL5543437 0.82 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL15444087 0.81 POLB (0.40) ALDH1A1SMN1; SMN2POLBPPARATHRB
SCHEMBL527763 0.81 MAOA (0.51) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL1035304 0.79 POLB (0.52) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL7782068 0.79 THRB (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL12389249 0.79 THRB (0.56) NPC1RAB9ATDP1MEN1KMT2A
SCHEMBL16894509 0.78 MAOA (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL21511969 0.78 APP (0.51) ALDH1A1KDM4ESMN1; SMN2

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-2597953-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS Inspire Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
US-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2013-05-23 US disclosed
WO-2012015760-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS INSPIRE PHARMACEUTICALS, INC. (US) 2012-02-02 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-20130131059-A1 METHOD FOR TREATING OPHTHALMIC DISEASES USING KINASE INHIBITOR COMPOUNDS IN PRODRUG FORMS ROCK1, ROCK2, CIT MAOA 342/4885MAOB 288/4885NPC1 1585/4885

“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.