SCHEMBL17899551

SCHEMBL17899551

O=C1/C(=C/c2ccc(Cl)c(Cl)c2)COC/C1=C\c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 4/20 0.52
MAPT P10636 4/20 0.52
PKM P14618 2/20 0.52
RAB9A P51151 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
LMNA P02545 2/20 0.52
JAK2 O60674 1/20 0.52
GAA P10253 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAOB P27338 4/20 0.51
MAOA P21397 2/20 0.51
PAX8 Q06710 2/20 0.48
HSP90AA1 P07900 1/20 0.48
IGF1R P08069 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
NPC1 O15118 1/20 0.46
XBP1 P17861 1/20 0.46
ATM Q13315 1/20 0.46
LY96 Q9Y6Y9 1/20 0.46

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
SCHEMBL17899520 0.84 CYP1A2 (0.65) ALDH1A1MAPK1MAPTRAB9ALMNA
SCHEMBL23095004 0.81 IKBKB (0.56) ALDH1A1MAPK1MAOBMAOAPAX8
SCHEMBL29929529 0.81 IKBKB (0.56) ALDH1A1MAPK1MAOBMAOAPAX8
SCHEMBL11504354 0.79 IGF1R (0.51) ALDH1A1MAPK1MAPTLMNAGAA
SCHEMBL11504353 0.79 IGF1R (0.51) ALDH1A1MAPK1MAPTLMNAGAA
SCHEMBL17451483 0.79 IGF1R (0.51) ALDH1A1MAPK1MAPTLMNAGAA
SCHEMBL17899558 0.77 ACHE (0.54) ALDH1A1MAPK1MAPTRAB9ALMNA
SCHEMBL17899501 0.77 MAPT (0.55) ALDH1A1MAPK1MAPTPKMRAB9A
SCHEMBL3267652 0.76 MAPT (0.68) ALDH1A1MAPK1MAPTPKMRAB9A
SCHEMBL8881789 0.76 AKR1C3 (0.67) ALDH1A1MAPK1MAPTRAB9ALMNA

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 9 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

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 ALDH1A1 4425/4885MAPK1 1806/4885MAPT 4809/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 ALDH1A1 4727/4885MAPK1 2693/4885MAPT 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 ALDH1A1 4425/4885MAPK1 1806/4885MAPT 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 ALDH1A1 4425/4885MAPK1 1806/4885MAPT 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 ALDH1A1 4425/4885MAPK1 1806/4885MAPT 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 ALDH1A1 4425/4885MAPK1 1806/4885MAPT 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.