SCHEMBL17899520

SCHEMBL17899520

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.65
MAOA P21397 2/20 0.57
MAOB P27338 2/20 0.57
HSD11B1 P28845 2/20 0.56
F3 P13726 2/20 0.56
CYP2C9 P11712 1/20 0.56
MAPT P10636 4/20 0.55
ALDH1A1 P00352 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
EP300 Q09472 1/20 0.55
NFE2L2 Q16236 1/20 0.54
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
EGFR P00533 1/20 0.52

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
SCHEMBL8881789 0.88 AKR1C3 (0.67) CYP1A2MAOAMAOBHSD11B1F3
SCHEMBL8881793 0.88 AKR1C3 (0.67) CYP1A2MAOAMAOBHSD11B1F3
SCHEMBL17899551 0.84 ALDH1A1 (0.52) CYP1A2MAOAMAOBMAPTALDH1A1
SCHEMBL29929529 0.82 IKBKB (0.56) CYP1A2MAOAMAOBALDH1A1MAPK1
SCHEMBL23095004 0.82 IKBKB (0.56) CYP1A2MAOAMAOBALDH1A1MAPK1
SCHEMBL19474856 0.81 CYP1A2 (0.59) CYP1A2HSD11B1F3CYP2C9MAPT
SCHEMBL19474865 0.81 CYP1A2 (0.59) CYP1A2HSD11B1F3CYP2C9MAPT
SCHEMBL19508585 0.81 MEN1 (0.66) CYP1A2CYP2C9MAPTALDH1A1TDP1
SCHEMBL19474855 0.81 CYP1A2 (0.59) CYP1A2HSD11B1F3CYP2C9MAPT
SCHEMBL11504354 0.81 IGF1R (0.51) CYP1A2MAOAMAOBMAPTALDH1A1

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 CYP1A2 4522/4885MAOA 4261/4885MAOB 4210/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 CYP1A2 4797/4885MAOA 4713/4885MAOB 4723/4885
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 4522/4885MAOA 4261/4885MAOB 4210/4885
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 4522/4885MAOA 4261/4885MAOB 4210/4885
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 4522/4885MAOA 4261/4885MAOB 4210/4885
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 4522/4885MAOA 4261/4885MAOB 4210/4885

“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.