SCHEMBL2474006

SCHEMBL2474006

CCCCC(CC)COCC(CC)CCCC.CCCCC(CC)COCC(CC)CCCC.CCCC[Sn]CC(CC)CCCC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.50
ALDH1A1 P00352 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 3/20 0.41
ATM Q13315 1/20 0.41
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA2 P00918 3/20 0.36
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.35
MAPK1 P28482 1/20 0.33
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 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
SCHEMBL2472431 0.91 CYP3A4 (0.55) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL2474003 0.89 ALDH1A1 (0.52) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL2469273 0.84 CYP3A4 (0.45) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL2472986 0.83 CYP3A4 (0.55) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL2469239 0.83 CYP3A4 (0.55) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL2474501 0.83 CYP3A4 (0.44) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL2469113 0.82 CYP3A4 (0.62) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL80432 0.82 CYP3A4 (0.67) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL10960750 0.81 CYP3A4 (0.48) CYP3A4ALDH1A1L3MBTL1TSHRTDP1
SCHEMBL23087841 0.80 CYP3A4 (0.64) CYP3A4ALDH1A1L3MBTL1TSHRTDP1

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 CYP3A4 9/4885ALDH1A1 264/4885L3MBTL1 719/4885

“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.