SCHEMBL2469115

SCHEMBL2469115

CCCCC(CC)CO[Sn](O[Sn](OCC(CC)CCCC)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
CYP3A4 P08684 5/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 4/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
ATM Q13315 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL27558876 0.94 ALDH1A1 (0.50) ALDH1A1CYP3A4CA2LMNAL3MBTL1
SCHEMBL2473222 0.87 TRPA1 (0.33) ALDH1A1CYP3A4CA2LMNAL3MBTL1
SCHEMBL27576098 0.80 TRPA1 (0.34) ALDH1A1CYP3A4CA2LMNAL3MBTL1
SCHEMBL2325371 0.75 LTA4H (0.44) ALDH1A1CYP3A4L3MBTL1MEN1KMT2A
SCHEMBL2325321 0.74 LTA4H (0.44) ALDH1A1CYP3A4LMNAL3MBTL1MEN1
SCHEMBL2347755 0.72 LTA4H (0.43) ALDH1A1CYP3A4LMNAL3MBTL1MEN1
SCHEMBL15529518 0.72 ALDH1A1 (0.45) ALDH1A1CYP3A4CA2LMNAL3MBTL1
SCHEMBL2325240 0.72 LTA4H (0.43) ALDH1A1CYP3A4LMNAL3MBTL1MEN1
SCHEMBL2348524 0.72 LTA4H (0.43) ALDH1A1CYP3A4LMNAL3MBTL1MEN1
SCHEMBL4913490 0.72 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1460056-B1 METHOD FOR PRODUCING A CARBONIC ESTER ASAHI KASEI CHEMICALS CORP (JP) 2011-10-05 EP disclosed
US-7435842-B2 Process for producing carbonic ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2008-10-14 US disclosed
US-20050080274-A1 Process for producing carbonic ester ASAHI KASEI KABUSHIKI KAISHA (JP) 2005-04-14 US disclosed
EP-1460056-A1 PROCESS FOR PRODUCING CARBONIC ESTER Asahi Kasei Chemicals Corporation (JP) 2004-09-22 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 (1 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-20050080274-A1 Process for producing carbonic ester CYP2E1, ADH1A, ALKBH3 ALDH1A1 264/4885CYP3A4 9/4885CA2 83/4885

“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.