SCHEMBL5085330

SCHEMBL5085330

CC(C)(C)OC(=O)C12CC3CC(C(=O)O)(C1)CC(C(=O)OC(C)(C)C)(C3)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.37
CYP19A1 P11511 2/20 0.37
RBP4 P02753 1/20 0.34
DGAT1 O75907 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD11B1 P28845 2/20 0.32
HSD11B2 P80365 1/20 0.32
EPHX2 P34913 2/20 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
SCHEMBL5084668 1.00 CYP17A1 (0.37) CYP17A1CYP19A1RBP4DGAT1ALDH1A1
SCHEMBL5080907 0.93 CYP17A1 (0.41) CYP17A1CYP19A1MEN1MAPK1KMT2A
SCHEMBL5568146 0.86 ALDH1A1 (0.44) CYP17A1CYP19A1RBP4ALDH1A1MEN1
SCHEMBL30798137 0.85 CYP17A1 (0.46) CYP17A1CYP19A1ALDH1A1MEN1MAPK1
SCHEMBL1732799 0.84 CYP17A1 (0.36) CYP17A1CYP19A1ALDH1A1MEN1MAPK1
SCHEMBL5084562 0.83 GRM1 (0.33) DGAT1
SCHEMBL5082295 0.83 GRM1 (0.33) DGAT1
SCHEMBL16933170 0.83 GRM1 (0.33) DGAT1
SCHEMBL5081750 0.83 GRM1 (0.33) DGAT1
SCHEMBL1733193 0.83 DGAT1 (0.31) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160252818-A9 PRODUCTION METHOD OF SEMICONDUCTOR ELEMENT, AND ION IMPLANTATION METHOD JSR CORPORATION (JP) 2016-09-01 US disclosed
US-20160252818-A9 PRODUCTION METHOD OF SEMICONDUCTOR ELEMENT, AND ION IMPLANTATION METHOD JSR CORPORATION (JP) 2016-09-01 US disclosed
US-20150355550-A1 PRODUCTION METHOD OF SEMICONDUCTOR ELEMENT, AND ION IMPLANTATION METHOD JSR CORPORATION (JP) 2015-12-10 US disclosed
US-20150355550-A1 PRODUCTION METHOD OF SEMICONDUCTOR ELEMENT, AND ION IMPLANTATION METHOD JSR CORPORATION (JP) 2015-12-10 US disclosed
WO-2014171429-A1 PRODUCTION METHOD FOR SEMICONDUCTOR ELEMENT AND ION IMPLANTATION METHOD JSR株式会社 (JP) 2014-10-23 WO disclosed
EP-1462471-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2008-07-30 EP disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 US disclosed
US-20070032556-A1 Aromatic polyamine derivative DAICEL CHEMICAL INSUSTRIES, LTD. (JP) 2007-02-08 US disclosed
US-20060264667-A1 Adamantanetricarboxylic acid derivatives NAGANO SHINYA 2006-11-23 US disclosed
US-7102027-B2 Adamantanetricarboxylic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 EP disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 EP disclosed
US-20040242923-A1 Adamantanetricarboxylic acid derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-02 US disclosed
EP-1462471-A1 Dielectric films and materials thereof Daicel Chemical Industries, Ltd. (JP) 2004-09-29 EP disclosed
US-20040175858-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 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-20040242923-A1 Adamantanetricarboxylic acid derivatives HCAR1, CA1, ALDH7A1 CYP17A1 581/4885CYP19A1 915/4885RBP4 2746/4885
US-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 CYP17A1 1864/4885CYP19A1 1985/4885RBP4 1646/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 CYP17A1 589/4885CYP19A1 665/4885RBP4 3420/4885

“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.