SCHEMBL4772404

SCHEMBL4772404

CCCC[Sn](CCCC)(CCCC)c1ccc(OCCOC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
PLA2G4B P0C869 1/20 0.42
RARB P10826 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PDE4A P27815 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4773948 0.84 SMPD1 (0.42) ALDH1A1TSHRPLA2G4BL3MBTL1CYP2D6
SCHEMBL4771498 0.81 ALDH1A1 (0.42) ALDH1A1TP53TSHRPLA2G4BCYP1A2
SCHEMBL1919533 0.80 LTA4H (0.43) TP53TSHRKDM4ECYP2D6
SCHEMBL4772112 0.80 LMNA (0.47) ALDH1A1TP53L3MBTL1KDM4ESMN1; SMN2
SCHEMBL10030181 0.79 L3MBTL1 (0.55) ALDH1A1TP53TSHRL3MBTL1SMN1; SMN2
SCHEMBL10030182 0.79 L3MBTL1 (0.55) ALDH1A1TP53TSHRPLA2G4BL3MBTL1
SCHEMBL2115755 0.79 LTA4H (0.44) TP53TSHRCYP1A2CYP2D6SMN1; SMN2
SCHEMBL10030180 0.78 DGKA (0.61) ALDH1A1TP53TSHRPLA2G4BL3MBTL1
SCHEMBL6288626 0.78 PLA2G4B (0.50) ALDH1A1TSHRPLA2G4BSMN1; SMN2
SCHEMBL4772108 0.78 ALDH1A1 (0.35) ALDH1A1TP53TSHRPLA2G4BL3MBTL1

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 ALDH1A1 2989/4885TP53 2427/4885TSHR 1481/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885TP53 3037/4885TSHR 962/4885

“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.