SCHEMBL2474003

SCHEMBL2474003

CCCC[Sn]CC(CC)CCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
CYP3A4 P08684 5/20 0.52
TSHR P16473 4/20 0.52
TDP1 Q9NUW8 2/20 0.48
CA2 P00918 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10960750 0.91 CYP3A4 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL2474006 0.89 CYP3A4 (0.50) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL384175 0.88 ALDH1A1 (0.58) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL2469273 0.87 CYP3A4 (0.45) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL2474501 0.86 CYP3A4 (0.44) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL2473763 0.84 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL2476270 0.80 ALDH1A1 (0.36) ALDH1A1CYP3A4TSHRTDP1L3MBTL1
SCHEMBL28665470 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL21811195 0.78 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CA2
SCHEMBL6436065 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1CA2

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 9/4885TSHR 3770/4885

“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.