SCHEMBL5080907

SCHEMBL5080907

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.41
CYP19A1 P11511 2/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX2 P34913 2/20 0.34
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD11B1 P28845 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL5085330 0.93 CYP17A1 (0.37) CYP17A1CYP19A1MEN1KMT2AMAPK1
SCHEMBL5084668 0.93 CYP17A1 (0.37) CYP17A1CYP19A1MEN1KMT2AMAPK1
SCHEMBL30798137 0.91 CYP17A1 (0.46) CYP17A1CYP19A1MEN1KMT2AMAPK1
SCHEMBL1732799 0.91 CYP17A1 (0.36) CYP17A1CYP19A1MEN1KMT2AMAPK1
SCHEMBL136663 0.88 NPSR1 (0.49) CYP17A1CYP19A1MEN1KMT2AMAPK1
SCHEMBL5080852 0.84 DGAT1 (0.36) CYP17A1CYP19A1MEN1KMT2AMAPK1
SCHEMBL131064 0.83 CYP17A1 (0.55) CYP17A1CYP19A1MEN1KMT2AMAPK1
SCHEMBL5568146 0.82 ALDH1A1 (0.44) CYP17A1CYP19A1MEN1KMT2AMAPK1
SCHEMBL1143517 0.81 CYP17A1 (0.31) CYP17A1CYP19A1
SCHEMBL1733414 0.81 CYP17A1 (0.31) CYP17A1CYP19A1MEN1KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1505053-A1 Adamantanetricarboxylic acid derivatives Daicel Chemical Industries, Ltd. (JP) 2005-02-09 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 915/4885MEN1 1203/4885
US-20070032556-A1 Aromatic polyamine derivative SRM, PRMT1, KDM8 CYP17A1 1864/4885CYP19A1 1985/4885MEN1 1236/4885
US-20060264667-A1 Adamantanetricarboxylic acid derivatives CA1, HCAR1, ALDH7A1 CYP17A1 589/4885CYP19A1 665/4885MEN1 1259/4885

“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.