SCHEMBL17899561

SCHEMBL17899561

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.65
NFE2L2 Q16236 1/20 0.65
ALDH1A1 P00352 3/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 2/20 0.57
KDM4E B2RXH2 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
LY96 Q9Y6Y9 1/20 0.56
MIF P14174 1/20 0.55
EGFR P00533 2/20 0.54
PAX8 Q06710 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
IKBKB O14920 1/20 0.50
RAF1 P04049 1/20 0.50
RPS6KB1 P23443 1/20 0.50
MAPK1 P28482 1/20 0.50
AKT1 P31749 1/20 0.50
AKT2 P31751 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL31518795 1.00 ACHE (0.65) ACHENFE2L2ALDH1A1GAAMAPT
SCHEMBL11375132 0.90 ACHE (0.52) ACHENFE2L2ALDH1A1GAAMAPT
SCHEMBL17899557 0.87 NFE2L2 (0.77) ACHENFE2L2ALDH1A1MAPTLY96
SCHEMBL17899497 0.84 ACHE (0.61) ACHENFE2L2ALDH1A1GAAMAPT
SCHEMBL17899532 0.84 ACHE (0.61) ACHENFE2L2ALDH1A1GAAMAPT
SCHEMBL31518778 0.84 ACHE (0.61) ACHENFE2L2ALDH1A1GAAMAPT
SCHEMBL17899518 0.83 NFE2L2 (0.58) ACHENFE2L2MAPTKDM4ELY96
SCHEMBL11608395 0.81 ALDH1A1 (0.57) ACHENFE2L2ALDH1A1GAAMAPT
SCHEMBL11608398 0.81 ALDH1A1 (0.57) ACHENFE2L2ALDH1A1GAAMAPT
SCHEMBL31513566 0.81 ACHE (0.55) ACHENFE2L2ALDH1A1GAAMAPT

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 9 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 ACHE 4659/4885NFE2L2 1274/4885ALDH1A1 4425/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 ACHE 4823/4885NFE2L2 1518/4885ALDH1A1 4727/4885
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 ACHE 4659/4885NFE2L2 1274/4885ALDH1A1 4425/4885
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 ACHE 4659/4885NFE2L2 1274/4885ALDH1A1 4425/4885
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 ACHE 4659/4885NFE2L2 1274/4885ALDH1A1 4425/4885
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 ACHE 4659/4885NFE2L2 1274/4885ALDH1A1 4425/4885

“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.