SCHEMBL4770181

SCHEMBL4770181

CCCC[Sn](CCCC)(CCCC)c1ccc(CCCOC(C)=O)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.44
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CNR1 P21554 3/20 0.37
CNR2 P34972 1/20 0.37
PPARA Q07869 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4774238 0.77 TNKS2 (0.50) TNKS2ALDH1A1MEN1KMT2A
SCHEMBL4766328 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL4772404 0.74 ALDH1A1 (0.47) ALDH1A1
SCHEMBL246540 0.74 CA2 (0.41) MEN1KMT2A
SCHEMBL2307379 0.74 CA2 (0.41) MEN1KMT2A
SCHEMBL4773948 0.72 SMPD1 (0.42) ALDH1A1PPARAKMT2A
SCHEMBL15562566 0.71 TAAR1 (0.53) TNKS2ALOX5ALDH1A1KMT2A
SCHEMBL47914 0.69 APLNR (0.50) ALDH1A1CNR1MEN1KMT2A
SCHEMBL12341799 0.69 SMN1; SMN2 (0.49) TNKS2ALOX5ALDH1A1
SCHEMBL4765877 0.69 TNKS2 (0.50) TNKS2ALDH1A1MEN1KMT2A

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 TNKS2 2823/4885ALOX5 3062/4885ALDH1A1 2989/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TNKS2 3115/4885ALOX5 2914/4885ALDH1A1 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.