SCHEMBL5578049

SCHEMBL5578049

CCOC(C#Cc1ccc(F)cc1)OCC

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FFAR1 O14842 1/20 0.34
GRM5 P41594 3/20 0.33
ACACB O00763 4/20 0.32
HSD17B2 P37059 1/20 0.32
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
APP P05067 1/20 0.31
AOC3 Q16853 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL3901448 0.81 APP (0.42) CYP1A2CYP2C19L3MBTL1APP
SCHEMBL26259756 0.78 ACACB (0.35) CYP1A2TDP1L3MBTL1ACACB
SCHEMBL19432861 0.77 FFAR1 (0.36) TDP1FFAR1GRM5HSD17B2APP
SCHEMBL26259881 0.76 ACACB (0.34) CYP1A2TDP1L3MBTL1ACACB
SCHEMBL4269320 0.73 ACACB (0.37) ACACB
SCHEMBL26259731 0.73 ACACB (0.43) CYP1A2CYP2C19TDP1L3MBTL1ACACB
SCHEMBL13394634 0.71 GRM5 (0.39) FFAR1GRM5HSD17B2APP
SCHEMBL8375667 0.71 NQO1 (0.58) CYP1A2CYP2D6CYP2C19TDP1L3MBTL1
SCHEMBL27138663 0.71 MAPT (0.33) CYP1A2CYP2C19GRM5MEN1KMT2A
SCHEMBL21183960 0.70 MAOA (0.39) FFAR1GRM5HSD17B2APPAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105900-A1 Pharmaceutical compounds ATEX THERAPEUTICS, LIMITED (GB) 2007-05-10 US disclosed
EP-1648449-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS Astex Therapeutics Limited (GB) 2006-04-26 EP disclosed
WO-2005002576-A2 IMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
EP-0006452-B1 HYPOGLYCEMIC PHENYLPROPYNYLAMINO BENZOIC ACIDS, THEIR SALTS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS AND THEIR APPLICATION THE DOW CHEMICAL COMPANY (US) 1983-02-16 EP disclosed
US-4263320-A ANTIDIABETIC AGENTS THE DOW CHEMICAL COMPANY (US) 1981-04-21 US disclosed
EP-0006452-A1 Hypoglycemic phenylpropynylamino benzoic acids, their salts, pharmaceutical compositions containing said compounds and their application THE DOW CHEMICAL COMPANY (US) 1980-01-09 EP 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-20070105900-A1 Pharmaceutical compounds AURKA, AURKC, CDK1 CYP1A2 1378/4885CYP2D6 1906/4885CYP2C19 1774/4885

“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.