SCHEMBL5856166

SCHEMBL5856166

CC(C)(C)OC(=O)COCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
HTT P42858 1/20 0.34
LATS1 O95835 1/20 0.34
ALDH1A1 P00352 2/20 0.33
APLNR P35414 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CYP2D6 P10635 1/20 0.31
PLA2G2C Q5R387 1/20 0.30
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
DGAT1 O75907 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 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
SCHEMBL26177085 0.83 LATS1 (0.35) LATS1APLNRCYP2D6DGAT1HDAC3
SCHEMBL24360855 0.82 LATS1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL765529 0.82 LATS1 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6688426 0.82 DGAT1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12292970 0.79
SCHEMBL16826944 0.79 LATS1 (0.34) LATS1CYP2D6DGAT1HDAC3HDAC1
SCHEMBL816653 0.78 TSHR (0.40) HTTALDH1A1PLA2G2C
SCHEMBL12868863 0.78 CYP2D6 (0.33) LATS1APLNRCYP2D6
SCHEMBL13323676 0.78 DGAT1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13907508 0.78 APLNR (0.36) LATS1ALDH1A1APLNRCYP2D6DGAT1

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 PSEN1 2605/4885PSEN2 3412/4885APH1B 3950/4885

“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.