SCHEMBL6197895

SCHEMBL6197895

CC(C)(C)[Si](C)(C)OCC1CCc2cc(CO)ccc2C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.41
S1PR3 Q99500 4/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 4/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
GRIN2B Q13224 2/20 0.36
S1PR1 P21453 8/20 0.35
SGPL1 O95470 3/20 0.35
S1PR4 O95977 2/20 0.34
S1PR5 Q9H228 2/20 0.34
FKBP1A P62942 1/20 0.33

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
SCHEMBL6197897 1.00 CYP26A1 (0.41) CYP26A1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL6195158 0.82 L3MBTL1 (0.40) CYP26A1
SCHEMBL6193656 0.79 MCHR1 (0.39) CYP26A1CYP19A1FKBP1A
SCHEMBL6193660 0.79 MCHR1 (0.39) CYP26A1CYP19A1FKBP1A
SCHEMBL6195163 0.79 CYP19A1 (0.33) CYP26A1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL23530105 0.73 CYP26A1 (0.48) CYP26A1S1PR3CYP3A4CYP2C8CYP2D6
SCHEMBL7608832 0.72 DRD2 (0.48) GRIN2BFKBP1A
SCHEMBL7508573 0.72 DRD2 (0.49) GRIN2BFKBP1A
SCHEMBL31073347 0.72 DRD2 (0.46) S1PR1SGPL1FKBP1A
SCHEMBL31073309 0.72 DRD2 (0.46) S1PR1SGPL1FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1031563-B1 SULFONYL DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-12-28 EP disclosed
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
US-20030232808-A1 Sulfonyl derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-12-18 US disclosed
US-6525042-B1 Inhibits an activated coagulation factor FXa; anticoagulant, antithrombotic DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-25 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP disclosed
EP-1031563-A1 SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-30 EP 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 (2 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 CYP26A1 158/4885S1PR3 3045/4885CYP3A4 130/4885
US-20030232808-A1 Sulfonyl derivatives SULT1E1, SULT2A1, SULT1A1 CYP26A1 1198/4885S1PR3 1558/4885CYP3A4 489/4885

“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.