SCHEMBL6288626

SCHEMBL6288626

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 6/20 0.50
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALOX15 P16050 1/20 0.49
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
NR4A1 P22736 1/20 0.45
APEX1 P27695 1/20 0.45
FFAR1 O14842 1/20 0.45
PLA2G4A P47712 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
SCHEMBL4769134 0.84 GAA (0.55) ALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL5429541 0.81 PLA2G4B (0.68) PLA2G4BTSHRALDH1A1ALOX15PLA2G4A
SCHEMBL1767709 0.80 NQO1 (0.54) TSHRALDH1A1SMN1; SMN2
SCHEMBL8744429 0.78 PLA2G4B (0.73) PLA2G4BTSHRPLA2G4A
SCHEMBL4772404 0.78 ALDH1A1 (0.47) PLA2G4BTSHRALDH1A1SMN1; SMN2
SCHEMBL4772112 0.78 LMNA (0.47) ALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL9163844 0.77 PLA2G4B (0.76) PLA2G4BTSHRPLA2G4A
SCHEMBL7369439 0.77 PLA2G4B (0.76) PLA2G4BTSHRPLA2G4A
SCHEMBL15199296 0.77 PLA2G4B (0.76) PLA2G4BTSHRPLA2G4A
SCHEMBL11842813 0.77 PLA2G4B (0.76) PLA2G4BTSHRPLA2G4A

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
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
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 (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-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 PLA2G4B 3053/4885TSHR 962/4885ALDH1A1 1071/4885

“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.