SCHEMBL4773948

SCHEMBL4773948

CCCC[Sn](CCCC)(CCCC)c1cccc(OCCOC(C)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
THRB P10828 1/20 0.41
FAAH O00519 1/20 0.41
PLA2G4B P0C869 2/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CYP2D6 P10635 2/20 0.40

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
SCHEMBL4772404 0.84 ALDH1A1 (0.47) L3MBTL1ALDH1A1TSHRPLA2G4BCYP2D6
SCHEMBL10030189 0.79 MTNR1A (0.53) KMT2AL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL4773942 0.77 ALDH1A1 (0.34) SMPD1KMT2AALDH1A1FAAHPPARG
SCHEMBL28675008 0.76 CYP2D6 (0.57) PLA2G4BPPARGPPARACYP2D6
SCHEMBL4771498 0.74 ALDH1A1 (0.42) KMT2AALDH1A1TSHRPLA2G4B
SCHEMBL1255316 0.74 ACHE (0.41) L3MBTL1MAPK1TDP1ALDH1A1TSHR
SCHEMBL10030196 0.74 MTNR1A (0.51) KMT2AL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL13463055 0.74 L3MBTL1 (0.62) KMT2AL3MBTL1MAPK1TDP1ALDH1A1
SCHEMBL14926504 0.74 THRA (0.53) ALDH1A1TSHRPLA2G4B
SCHEMBL15386013 0.74 LMNA (0.52) KMT2AL3MBTL1MAPK1TDP1ALDH1A1

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 SMPD1 4185/4885KMT2A 1240/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 SMPD1 3466/4885KMT2A 1300/4885L3MBTL1 2776/4885

“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.