SCHEMBL5855002

SCHEMBL5855002

CCOC(=O)C(CCCCCCCI)(CCCC(F)(F)C(F)(F)F)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP4F2 P78329 2/20 0.40
CYP4A11 Q02928 2/20 0.40
HTT P42858 1/20 0.39
THRB P10828 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HIF1A Q16665 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
SCHEMBL5854541 1.00 MEN1 (0.41) MEN1KMT2ACYP4F2CYP4A11HTT
SCHEMBL5855225 1.00 MEN1 (0.41) MEN1KMT2ACYP4F2CYP4A11HTT
SCHEMBL5856144 0.98 MEN1 (0.41) MEN1KMT2ACYP4F2CYP4A11HTT
SCHEMBL10851975 0.87 MEN1 (0.50) MEN1KMT2ACYP4F2CYP4A11HTT
SCHEMBL5857559 0.87 CYP4F2 (0.55) MEN1KMT2ACYP4F2CYP4A11HTT
SCHEMBL5854578 0.85 MEN1 (0.41) MEN1KMT2ACYP4F2CYP4A11HTT
SCHEMBL5353382 0.85 MEN1 (0.41) MEN1KMT2ACYP4F2CYP4A11HTT
SCHEMBL5854564 0.84 MEN1 (0.41) MEN1KMT2ACYP4F2CYP4A11HTT
SCHEMBL5854543 0.82 MEN1 (0.42) MEN1KMT2ACYP4F2CYP4A11HTT
SCHEMBL6936029 0.82 LMNA (0.39) MEN1KMT2ACYP4F2CYP4A11HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed
EP-1087959-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-04-04 EP disclosed
WO-1999065893-A1 NOVEL BENZOPYRAN OR THIOBENZOPYRAN DERIVATIVES C & C RESEARCH LABORATORIES (KR) 1999-12-23 WO 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 MEN1 3858/4885KMT2A 3398/4885CYP4F2 147/4885

“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.