SCHEMBL4769134

SCHEMBL4769134

CCCC[Sn](CCCC)(CCCC)c1ccc(OCC(=O)OCC)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
PTPN1 P18031 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
TBXAS1 P24557 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL6288626 0.84 PLA2G4B (0.50) PPARAPPARGALDH1A1SMN1; SMN2
SCHEMBL1767709 0.80 NQO1 (0.54) ALDH1A1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL4772937 0.78 MEN1 (0.43) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL11815554 0.78 GAA (0.72) GAANPSR1PTPN1ALDH1A1KDM4E
SCHEMBL11817150 0.78 PPARA (0.63) GAANPSR1PPARAPPARGALDH1A1
SCHEMBL4772404 0.77 ALDH1A1 (0.47) ALDH1A1KDM4ETP53SMN1; SMN2L3MBTL1
SCHEMBL4769424 0.77 CYP4F2 (0.59) GAANPSR1
SCHEMBL12869146 0.77 PPARA (0.69) GAANPSR1PPARAPPARG
SCHEMBL1107148 0.76 GAA (0.70) GAANPSR1ALDH1A1KDM4EHSD17B10
SCHEMBL11550281 0.76 GAA (0.70) GAANPSR1PTPN1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 GAA 4736/4885NPSR1 1494/4885PPARA 1247/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 GAA 4801/4885NPSR1 1759/4885PPARA 3207/4885

“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.