SCHEMBL17899502

SCHEMBL17899502

COc1cc(/C=C2\CC(C)C/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 1.00
KMT2A Q03164 5/20 1.00
NPC1 O15118 4/20 1.00
RAB9A P51151 3/20 1.00
NOD2 Q9HC29 2/20 0.72
SMN1; SMN2 Q16637 5/20 0.71
LMNA P02545 4/20 0.71
HSD17B3 P37058 1/20 0.68
MAPT P10636 7/20 0.66
ALDH1A1 P00352 5/20 0.66
MAPK1 P28482 3/20 0.66
LY96 Q9Y6Y9 2/20 0.66
ATM Q13315 2/20 0.66
XBP1 P17861 2/20 0.66
PKM P14618 1/20 0.66
PAX8 Q06710 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
KDM4E B2RXH2 2/20 0.55
HTT P42858 4/20 0.53

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
SCHEMBL25842337 0.91 MEN1 (0.82) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL17899514 0.84 MEN1 (0.72) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL17899521 0.84 MEN1 (0.72) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL22550849 0.81 NPC1 (0.68) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL17899519 0.81 HSD17B3 (1.00) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL22823103 0.81 SMN1; SMN2 (0.76) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL11610072 0.79 MAPT (1.00) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL10062874 0.79 SMN1; SMN2 (0.73) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL10062876 0.79 MAPT (1.00) MEN1KMT2ANPC1RAB9ANOD2
SCHEMBL11610067 0.79 MAPT (1.00) MEN1KMT2ANPC1RAB9ANOD2

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 MEN1 4718/4885KMT2A 4286/4885NPC1 4666/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 MEN1 3952/4885KMT2A 3709/4885NPC1 3993/4885
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 MEN1 4718/4885KMT2A 4286/4885NPC1 4666/4885
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 MEN1 4718/4885KMT2A 4286/4885NPC1 4666/4885
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 MEN1 4718/4885KMT2A 4286/4885NPC1 4666/4885
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 MEN1 4718/4885KMT2A 4286/4885NPC1 4666/4885

“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.