SCHEMBL16745481

SCHEMBL16745481

COc1ccccc1/C=C1\CCC/C(=C\c2ccccc2OC)C1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.77
NFE2L2 Q16236 1/20 0.66
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
NOD2 Q9HC29 1/20 0.64
CRHBP P24387 1/20 0.63
CRHR2 Q13324 1/20 0.63
ALDH1A1 P00352 3/20 0.60
GAA P10253 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
HSD11B1 P28845 1/20 0.58
MIF P14174 1/20 0.57
ACHE P22303 1/20 0.57
XDH P47989 1/20 0.56
TNF P01375 1/20 0.54
IL6 P05231 1/20 0.54
POLB P06746 1/20 0.54
HSD17B3 P37058 1/20 0.54

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
SCHEMBL1525052 0.89 EGFR (0.63) EGFRNFE2L2KMT2AMEN1NOD2
SCHEMBL30825519 0.89 EGFR (0.63) EGFRNFE2L2KMT2AMEN1NOD2
SCHEMBL9299869 0.89 EGFR (0.63) EGFRNFE2L2KMT2AMEN1NOD2
SCHEMBL1525054 0.89 EGFR (0.63) EGFRNFE2L2KMT2AMEN1NOD2
SCHEMBL17077339 0.88 EGFR (1.00) EGFRNFE2L2XDH
SCHEMBL17077362 0.88 EGFR (1.00) EGFRNFE2L2XDH
SCHEMBL17077340 0.88 EGFR (1.00) EGFRNFE2L2XDH
SCHEMBL17899573 0.86 CRHBP (0.76) EGFRNFE2L2KMT2AMEN1NOD2
SCHEMBL3438149 0.85 EGFR (0.59) EGFRNFE2L2KMT2AMEN1NOD2
SCHEMBL3438150 0.85 EGFR (0.59) EGFRNFE2L2KMT2AMEN1NOD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2023-11-09 US disclosed
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2023-11-09 US disclosed
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2023-07-25 US disclosed
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2023-07-25 US disclosed
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer BAYLOR COLLEGE OF MEDICINE (US) 2022-04-26 US disclosed
US-20210115017-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS BAYLOR COLLEGE OF MEDICINE (US) 2021-04-22 US disclosed
US-10875841-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents BAYLOR COLLEGE OF MEDICINE (US) 2020-12-29 US disclosed
US-20200071300-A1 Small Molecule Stimulators of Steroid Receptor Coactivator-3 and Methods of Their Use as Cardioprotective and/or Vascular Regenerative Agents BAYLOR COLLEGE OF MEDICINE (US) 2020-03-05 US disclosed
US-9527862-B2 Compounds of chiral aromatic spiroketal diphosphine ligands, preparation methods and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-12-27 US disclosed
US-9527862-B2 Compounds of chiral aromatic spiroketal diphosphine ligands, preparation methods and uses thereof SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-12-27 US disclosed
WO-2016109470-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR PROTEINS AND THEIR USE IN THE TREATMENT OF CANCER BAYLOR COLLEGE OF MEDICINE (US) 2016-07-07 WO disclosed
US-20150252055-A1 COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-10 US disclosed
US-20150252055-A1 COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-09-10 US disclosed
EP-2876108-A1 COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2015-05-27 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 (7 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-20200071300-A1 Small Molecule Stimulators of Steroid Receptor Coactivator-3 and Methods of Their Use as Cardioprotective and/or Vascular Regenerative Agents NCOA3, FABP3, NCOA1 EGFR 2269/4885NFE2L2 1274/4885KMT2A 4286/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 EGFR 739/4885NFE2L2 1518/4885KMT2A 3709/4885
US-20210115017-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS NCOA3, FABP3, NCOA1 EGFR 2269/4885NFE2L2 1274/4885KMT2A 4286/4885
US-11708350-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents NCOA3, FABP3, NCOA1 EGFR 2269/4885NFE2L2 1274/4885KMT2A 4286/4885
US-20150252055-A1 COMPOUNDS OF CHIRAL AROMATIC SPIROKETAL DIPHOSPHINE LIGANDS, PREPARATION METHODS AND USES THEREOF DDT, DPYD, RECQL EGFR 2625/4885NFE2L2 3996/4885KMT2A 3983/4885
US-10875841-B2 Small molecule stimulators of steroid receptor coactivator-3 and methods of their use as cardioprotective and/or vascular regenerative agents NCOA3, FABP3, NCOA1 EGFR 2269/4885NFE2L2 1274/4885KMT2A 4286/4885
US-20230357200-A1 SMALL MOLECULE STIMULATORS OF STEROID RECEPTOR COACTIVATOR-3 AND METHODS OF THEIR USE AS CARDIOPROTECTIVE AND/OR VASCULAR REGENERATIVE AGENTS NCOA3, FABP3, NCOA1 EGFR 2269/4885NFE2L2 1274/4885KMT2A 4286/4885

“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.