SCHEMBL4123092

SCHEMBL4123092

CC(C)(CCO)n1ccnc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 10/20 0.57
CYP17A1 P05093 2/20 0.37
CYP19A1 P11511 2/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
NFKB1 P19838 1/20 0.33
QPCT Q16769 1/20 0.33
HSD17B10 Q99714 1/20 0.33
QPCTL Q9NXS2 1/20 0.33
FDPS P14324 1/20 0.32
IDH1 O75874 1/20 0.31

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
SCHEMBL26660791 0.83 TBXAS1 (0.51) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL4342783 0.82 TBXAS1 (0.54) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL7771361 0.81 TBXAS1 (0.43) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL14464725 0.80 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL14415940 0.80 TBXAS1 (0.53) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL21392728 0.79 TBXAS1 (0.50) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL22023938 0.78 TBXAS1 (0.59) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL11266178 0.78 TBXAS1 (0.77) TBXAS1
SCHEMBL2229395 0.77 TBXAS1 (0.62) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL4338960 0.77 TBXAS1 (0.49) TBXAS1CYP17A1CYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-16 US disclosed
US-7504508-B2 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
EP-1313725-B1 TRICYCLIC ANTITUMOR COMPOUNDS BEING FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2007-04-11 EP disclosed
US-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. 2005-11-17 US 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 (3 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-20050256158-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TBXAS1 96/4885CYP17A1 804/4885CYP19A1 1302/4885
US-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS TBXAS1 1517/4885CYP17A1 1497/4885CYP19A1 1629/4885
US-20090181966-A1 PGD2 receptor antagonists for the treatment of inflammatory diseases PTGDR2, LTB4R2, CYSLTR2 TBXAS1 96/4885CYP17A1 804/4885CYP19A1 1302/4885

“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.