SCHEMBL5854301

SCHEMBL5854301

COc1ccc2c(c1)OCC(C)(c1cccnc1)C2CCCCCCCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.35
HTR1A P08908 1/20 0.33
HTR2B P41595 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP19A1 P11511 1/20 0.32
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CTSD P07339 1/20 0.31
PTAFR P25105 2/20 0.30
KCNH2 Q12809 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL5857506 0.86 BACE1 (0.38) BACE1HTR1AHTR2BSIGMAR1CYP19A1
SCHEMBL5853765 0.83 PTPN1 (0.32) HTR2BSIGMAR1
SCHEMBL5854950 0.82 PTPN1 (0.32) HTR2BSIGMAR1
SCHEMBL6791071 0.81 HTR1A (0.32) HTR1AHTR2BSIGMAR1
SCHEMBL5856958 0.81 BACE1 (0.34) BACE1HTR1AHTR2BSIGMAR1CYP19A1
SCHEMBL5857347 0.80 PTPN1 (0.35) HTR2BSIGMAR1
SCHEMBL5854575 0.79 PTPN1 (0.33) HTR1AHTR2BSIGMAR1
SCHEMBL5854058 0.78 LMNA (0.34) BACE1CYP19A1ALDH1A1LMNACYP11B1
SCHEMBL5853938 0.78 HTR1A (0.33) HTR1AHTR2BSIGMAR1
SCHEMBL7805867 0.78 PPARG (0.33)

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 BACE1 1971/4885HTR1A 1060/4885HTR2B 2643/4885

“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.