SCHEMBL17899531

SCHEMBL17899531

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.70
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
RAB9A P51151 3/20 0.58
NPC1 O15118 2/20 0.58
PKM P14618 2/20 0.58
MAPK1 P28482 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
XBP1 P17861 1/20 0.58
PAX8 Q06710 1/20 0.58
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LY96 Q9Y6Y9 1/20 0.58
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
MIF P14174 1/20 0.56
IKBKB O14920 1/20 0.51
NFE2L2 Q16236 1/20 0.51

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
SCHEMBL25842345 0.93 MAOB (0.66) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL17899573 0.87 CRHBP (0.76) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL17899484 0.86 MIF (0.68) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL17899552 0.81 MAPT (0.56) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL17899530 0.81 KMT2A (0.61) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL17899557 0.81 NFE2L2 (0.77) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL25842296 0.81 CRHBP (0.67) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL1524404 0.79 CRHBP (0.61) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL1524403 0.79 CRHBP (0.61) MAOBALDH1A1MAPTRAB9ANPC1
SCHEMBL17899565 0.78 NPC1 (0.56) MAOBALDH1A1MAPTRAB9ANPC1

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 MAOB 4210/4885ALDH1A1 4425/4885MAPT 4809/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 MAOB 4723/4885ALDH1A1 4727/4885MAPT 4834/4885
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 MAOB 4210/4885ALDH1A1 4425/4885MAPT 4809/4885
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 MAOB 4210/4885ALDH1A1 4425/4885MAPT 4809/4885
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 MAOB 4210/4885ALDH1A1 4425/4885MAPT 4809/4885
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 MAOB 4210/4885ALDH1A1 4425/4885MAPT 4809/4885

“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.