SCHEMBL17899503

SCHEMBL17899503

O=C1/C(=C/c2ccc(C(F)(F)F)cc2)CCC/C1=C\c1ccc(C(F)(F)F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 1.00
HSD11B1 P28845 3/20 0.66
F3 P13726 2/20 0.61
MAPT P10636 2/20 0.61
HTT P42858 2/20 0.61
CYP2C9 P11712 2/20 0.61
NPC1 O15118 1/20 0.61
HSP90AA1 P07900 1/20 0.61
XBP1 P17861 1/20 0.61
MAPK1 P28482 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HPGD P15428 1/20 0.56
PTGS2 P35354 1/20 0.54
MGAM O43451 1/20 0.54
GAA P10253 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
LY96 Q9Y6Y9 1/20 0.53
F2 P00734 3/20 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
SCHEMBL11827276 1.00 CYP1A2 (1.00) CYP1A2HSD11B1F3MAPTHTT
SCHEMBL11827285 1.00 CYP1A2 (1.00) CYP1A2HSD11B1F3MAPTHTT
SCHEMBL11841447 0.96 CYP1A2 (0.93) CYP1A2HSD11B1F3MAPTHTT
SCHEMBL11841453 0.96 CYP1A2 (0.93) CYP1A2HSD11B1F3MAPTHTT
SCHEMBL25842418 0.92 CYP1A2 (0.85) CYP1A2HSD11B1F3MAPTHTT
SCHEMBL9200839 0.84 CYP1A2 (0.73) CYP1A2HSD11B1F3MAPTHTT
SCHEMBL9298000 0.84 CYP1A2 (0.73) CYP1A2HSD11B1F3MAPTHTT
SCHEMBL29169520 0.83 CYP1A2 (0.71) CYP1A2HSD11B1MAPTHTTNPC1
SCHEMBL932931 0.82 CYP1A2 (0.70) CYP1A2HSD11B1CYP2C9MAPK1PTGS2
SCHEMBL932932 0.82 CYP1A2 (0.70) CYP1A2HSD11B1CYP2C9MAPK1PTGS2

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 CYP1A2 4522/4885HSD11B1 548/4885F3 2316/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 CYP1A2 4797/4885HSD11B1 1205/4885F3 4037/4885
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 CYP1A2 4522/4885HSD11B1 548/4885F3 2316/4885
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 CYP1A2 4522/4885HSD11B1 548/4885F3 2316/4885
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 CYP1A2 4522/4885HSD11B1 548/4885F3 2316/4885
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 CYP1A2 4522/4885HSD11B1 548/4885F3 2316/4885

“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.