SCHEMBL4772400

SCHEMBL4772400

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACACB O00763 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4773942 0.85 ALDH1A1 (0.34) MTNR1AMTNR1BALDH1A1ACACB
SCHEMBL1919531 0.82 AHR (0.30)
SCHEMBL4771899 0.81 TSHR (0.39) POLBTSHRMAPTACACBLMNA
SCHEMBL4771904 0.81 TSHR (0.39) POLBTSHRMAPTACACBLMNA
SCHEMBL4773424 0.81 TSHR (0.39) POLBTSHRMAPTACACBLMNA
SCHEMBL4769212 0.81 ALDH1A1 (0.37) POLBTSHRMAPTMTNR1AMTNR1B
SCHEMBL4766519 0.81 ALDH1A1 (0.37) POLBTSHRMAPTMTNR1AMTNR1B
SCHEMBL4766518 0.81 ALDH1A1 (0.37) POLBTSHRMAPTMTNR1AMTNR1B
SCHEMBL4772112 0.79 LMNA (0.47) POLBMAPTALDH1A1LMNAL3MBTL1
SCHEMBL10063720 0.78 POLB (0.46) POLBTSHRMAPTMTNR1AMTNR1B

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 POLB 3161/4885TSHR 1481/4885MAPT 1892/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 POLB 3192/4885TSHR 962/4885MAPT 3756/4885

“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.