SCHEMBL17899565

SCHEMBL17899565

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

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MAOB P27338 2/20 0.54
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NFE2L2 Q16236 1/20 0.47
PDE4B Q07343 1/20 0.46
MEN1 O00255 1/20 0.44
NOD2 Q9HC29 1/20 0.44

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
SCHEMBL25842409 0.94 MAOB (0.52) NPC1RAB9AMAOBALDH1A1MAPT
SCHEMBL17899570 0.88 ALDH1A1 (0.53) MAOBALDH1A1MAPTKMT2AMEN1
SCHEMBL17899530 0.85 KMT2A (0.61) NPC1RAB9AMAOBALDH1A1MAPT
SCHEMBL17899566 0.83 MEN1 (0.41) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL17899577 0.82 KMT2A (0.64) NPC1RAB9AMAOBALDH1A1MAPT
SCHEMBL25842332 0.80 MAOB (0.55) NPC1RAB9AMAOBALDH1A1MAPT
SCHEMBL17899573 0.79 CRHBP (0.76) NPC1RAB9AMAOBALDH1A1MAPT
SCHEMBL17899539 0.79 NFE2L2 (0.56) NPC1RAB9AMAOBALDH1A1MAPT
SCHEMBL25842410 0.78 MEN1 (0.37) NPC1RAB9AKMT2AMEN1NOD2
SCHEMBL17899531 0.78 MAOB (0.70) NPC1RAB9AMAOBALDH1A1MAPT

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 NPC1 4666/4885RAB9A 4198/4885MAOB 4210/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 NPC1 3993/4885RAB9A 3983/4885MAOB 4723/4885
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 NPC1 4666/4885RAB9A 4198/4885MAOB 4210/4885
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 NPC1 4666/4885RAB9A 4198/4885MAOB 4210/4885
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 NPC1 4666/4885RAB9A 4198/4885MAOB 4210/4885
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 NPC1 4666/4885RAB9A 4198/4885MAOB 4210/4885

“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.