SCHEMBL4766094

SCHEMBL4766094

CC(C(O)O[SiH](c1ccccc1)c1ccccc1)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 2/20 0.33
LMNA P02545 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL7341479 0.79 TRPA1 (0.36) TRPA1ATML3MBTL1SLC6A4LMNA
SCHEMBL9432002 0.78 TSHR (0.36) ATML3MBTL1ALDH1A1
SCHEMBL17511793 0.78 RIPK1 (0.34) TRPA1SLC6A4LMNARIPK1
SCHEMBL708401 0.77 TRPA1 (0.32) TRPA1ATML3MBTL1ALDH1A1ALOX15
SCHEMBL6660790 0.75 TRPA1 (0.37) TRPA1SLC6A4LMNASLC6A2SLC6A3
SCHEMBL6660780 0.75 TRPA1 (0.37) TRPA1SLC6A4LMNASLC6A2SLC6A3
SCHEMBL8391318 0.75 TRPA1 (0.37) TRPA1SLC6A4LMNASLC6A2SLC6A3
SCHEMBL7899559 0.73 RIPK1 (0.33) RIPK1
SCHEMBL3888063 0.72 ALDH1A1 (0.35) TRPA1L3MBTL1SLC6A4LMNASLC6A2
SCHEMBL7848050 0.72 MAPK1 (0.31)

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 TRPA1 123/4885ATM 2092/4885L3MBTL1 4124/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TRPA1 260/4885ATM 1791/4885L3MBTL1 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.