SCHEMBL17899530

SCHEMBL17899530

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

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
NOD2 Q9HC29 1/20 0.61
NPC1 O15118 3/20 0.59
RAB9A P51151 2/20 0.59
MAOB P27338 1/20 0.57
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.55
MAPT P10636 2/20 0.55
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
NFE2L2 Q16236 1/20 0.50
PDE4B Q07343 1/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL25842332 0.94 MAOB (0.55) KMT2AMEN1NOD2NPC1RAB9A
SCHEMBL17899525 0.87 MEN1 (0.66) KMT2AMEN1NOD2NPC1RAB9A
SCHEMBL17899577 0.85 KMT2A (0.64) KMT2AMEN1NPC1RAB9AMAOB
SCHEMBL17899565 0.85 NPC1 (0.56) KMT2AMEN1NOD2NPC1RAB9A
SCHEMBL17899573 0.82 CRHBP (0.76) KMT2AMEN1NOD2NPC1RAB9A
SCHEMBL17899529 0.82 MEN1 (0.59) KMT2AMEN1NOD2NPC1RAB9A
SCHEMBL17899531 0.81 MAOB (0.70) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL17899557 0.80 NFE2L2 (0.77) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL25842409 0.80 MAOB (0.52) KMT2ANPC1RAB9AMAOBALDH1A1
SCHEMBL25842317 0.80 KMT2A (0.57) KMT2AMEN1NPC1RAB9AMAOB

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 KMT2A 4286/4885MEN1 4718/4885NOD2 2883/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 KMT2A 3709/4885MEN1 3952/4885NOD2 3604/4885
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 KMT2A 4286/4885MEN1 4718/4885NOD2 2883/4885
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 KMT2A 4286/4885MEN1 4718/4885NOD2 2883/4885
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 KMT2A 4286/4885MEN1 4718/4885NOD2 2883/4885
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 KMT2A 4286/4885MEN1 4718/4885NOD2 2883/4885

“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.