SCHEMBL17899539

SCHEMBL17899539

COc1cccc(/C=C2\CN(C(C)C)C/C(=C\c3cccc(OC)c3OC)C2=O)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.56
MAOB P27338 1/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
EGFR P00533 1/20 0.48
PTK2 Q05397 1/20 0.48
ACHE P22303 1/20 0.48
PDE4B Q07343 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL25842401 0.94 MAOB (0.52) NFE2L2MAOBALDH1A1MAPTPOLB
SCHEMBL17899532 0.88 ACHE (0.61) NFE2L2ALDH1A1MAPTKMT2ARAB9A
SCHEMBL31518778 0.88 ACHE (0.61) NFE2L2ALDH1A1MAPTKMT2ARAB9A
SCHEMBL17899557 0.85 NFE2L2 (0.77) NFE2L2MAOBALDH1A1MAPTPOLB
SCHEMBL17899533 0.83 SMN1; SMN2 (0.50) NFE2L2ALDH1A1MAPTKMT2ARAB9A
SCHEMBL17899554 0.82 MAOB (0.57) NFE2L2MAOBALDH1A1MAPTPOLB
SCHEMBL25842368 0.80 NFE2L2 (0.68) NFE2L2MAOBALDH1A1MAPTPOLB
SCHEMBL10033987 0.80 NFE2L2 (0.57) NFE2L2MAOBALDH1A1MAPTPOLB
SCHEMBL17899573 0.79 CRHBP (0.76) NFE2L2MAOBALDH1A1MAPTPOLB
SCHEMBL17899565 0.79 NPC1 (0.56) NFE2L2MAOBALDH1A1MAPTPOLB

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 7 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-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 NFE2L2 1274/4885MAOB 4210/4885ALDH1A1 4425/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 NFE2L2 1518/4885MAOB 4723/4885ALDH1A1 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 NFE2L2 1274/4885MAOB 4210/4885ALDH1A1 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 NFE2L2 1274/4885MAOB 4210/4885ALDH1A1 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 NFE2L2 1274/4885MAOB 4210/4885ALDH1A1 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 NFE2L2 1274/4885MAOB 4210/4885ALDH1A1 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.