SCHEMBL5854636

SCHEMBL5854636

COCOc1ccc(C2C(=O)Oc3cc(OCOC)ccc3C2CCCCCCCCCOCc2ccccc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
ESR1 P03372 1/20 0.35
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
BCHE P06276 3/20 0.33
ACHE P22303 3/20 0.33
REN P00797 1/20 0.33
PLA2G4B P0C869 1/20 0.33
ROR1 Q01973 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL5854918 0.88 L3MBTL1 (0.39) L3MBTL1TDP1ABCG2MAOBBCHE
SCHEMBL5854871 0.81 PPARG (0.41) L3MBTL1TDP1ESR1RENPPARG
SCHEMBL7070267 0.74 ROR1 (0.36) ROR1CA2ALDH1A1HPGD
SCHEMBL6198914 0.64 CYP4F2 (0.51) L3MBTL1TDP1MAOBBCHE
SCHEMBL5854087 0.63 PPARG (0.40) TDP1ESR1ROR1PPARGPPARD
SCHEMBL13184040 0.63 ALDH1A1 (0.36) ABCG2MAOBCA2ALDH1A1
SCHEMBL3448340 0.62 PLA2G6 (0.60)
SCHEMBL2916304 0.62 PLA2G6 (0.60)
SCHEMBL2916300 0.62 PLA2G6 (0.60)
SCHEMBL27634597 0.61 L3MBTL1 (0.74) L3MBTL1TDP1

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 L3MBTL1 4418/4885TDP1 1959/4885ABCG2 104/4885

“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.