SCHEMBL12948680

SCHEMBL12948680

O=C1/C(=C/c2ccccn2)CCC/C1=C\c1ccccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 6/20 0.70
▸ IKBKB O14920 3/20 0.70
▸ RAF1 P04049 3/20 0.70
▸ RPS6KB1 P23443 3/20 0.70
▸ AKT1 P31749 3/20 0.70
▸ AKT2 P31751 3/20 0.70
▸ KDR P35968 3/20 0.70
▸ MAPKAPK2 P49137 3/20 0.70
▸ PRKAG1 P54619 3/20 0.70
▸ MAP2K1 Q02750 3/20 0.70
▸ PRKAA1 Q13131 3/20 0.70
▸ NEK1 Q96PY6 3/20 0.70
▸ PRKAB1 Q9Y478 3/20 0.70
▸ PRDX1 Q06830 1/20 0.70
▸ MAPK14 Q16539 1/20 0.70
▸ MIF P14174 2/20 0.65
▸ RAB9A P51151 7/20 0.64
▸ MAPT P10636 6/20 0.64
▸ SMN1; SMN2 Q16637 6/20 0.64
▸ NPC1 O15118 6/20 0.64

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
SCHEMBL625689 0.88 MAPK1 (0.58) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL17899483 0.86 MAPT (0.76) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL5593917 0.84 MAPK1 (0.58) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL29487479 0.84 MAPK1 (0.58) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL17899536 0.84 IKBKB (0.68) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL5593729 0.84 MAPK1 (0.58) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL624237 0.84 MAPK1 (0.58) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL21460535 0.82 IKBKB (1.00) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL21460534 0.82 IKBKB (1.00) MAPK1IKBKBRAF1RPS6KB1AKT1
SCHEMBL8106620 0.82 IKBKB (1.00) MAPK1IKBKBRAF1RPS6KB1AKT1

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
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
US-7872029-B2 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states BOWEN J PHILLIP 2011-01-18 — — US disclosed
US-20090018167-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states Robinson, Thomas Philip (US) 2009-01-15 — — US disclosed
US-7432303-B2 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states Bowen, J. Phillip (US) 2008-10-07 — — 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 (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-20090018167-A1 Chalcone and its analogs as agents for the inhibition of angiogenesis and related disease states FLT1, FLT4, VEGFA MAPK1 821/4885IKBKB 445/4885RAF1 316/4885
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 MAPK1 1806/4885IKBKB 533/4885RAF1 2339/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 MAPK1 2693/4885IKBKB 509/4885RAF1 1242/4885
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 MAPK1 1806/4885IKBKB 533/4885RAF1 2339/4885
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 MAPK1 1806/4885IKBKB 533/4885RAF1 2339/4885
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 MAPK1 1806/4885IKBKB 533/4885RAF1 2339/4885
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 MAPK1 1806/4885IKBKB 533/4885RAF1 2339/4885

“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.

Send feedback