SCHEMBL5856095

SCHEMBL5856095

COCOc1ccc(C2(C)COc3cc(OCOC)ccc3C2CCCOc2ccc(CCCO[Si](C)(C)C(C)(C)C)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.33
MAOA P21397 3/20 0.32
BACE1 P56817 2/20 0.31
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
FFAR1 O14842 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PTPN1 P18031 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
SCHEMBL5854575 0.94 PTPN1 (0.33) HTR2BTMEM97SIGMAR1FFAR1PPARG
SCHEMBL5854950 0.92 PTPN1 (0.32) HTR2BTMEM97SIGMAR1FFAR1PPARG
SCHEMBL5853765 0.91 PTPN1 (0.32) HTR2BTMEM97SIGMAR1FFAR1PPARG
SCHEMBL5855298 0.88 NTSR1 (0.30)
SCHEMBL5854989 0.86 PPARG (0.34) MAOBMAOAHTR2BTMEM97SIGMAR1
SCHEMBL5857347 0.86 PTPN1 (0.35) HTR2BTMEM97SIGMAR1FFAR1PPARG
SCHEMBL5854172 0.85
SCHEMBL5857317 0.84 MAOB (0.35) MAOBMAOAHTR2BTMEM97SIGMAR1
SCHEMBL5854700 0.84 MEN1 (0.35) MAOBMAOAHTR2BTMEM97SIGMAR1
SCHEMBL7805867 0.83 PPARG (0.33) FFAR1PPARGPPARDPTPN1

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 MAOB 3818/4885MAOA 4221/4885BACE1 1971/4885

“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.