SCHEMBL17899490

SCHEMBL17899490

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.69
XDH P47989 1/20 0.69
CYP1A2 P05177 6/20 0.67
HSD11B1 P28845 2/20 0.67
F3 P13726 2/20 0.67
CYP2C9 P11712 2/20 0.67
MAPT P10636 3/20 0.61
HTT P42858 2/20 0.61
RAB9A P51151 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
SMN1; SMN2 Q16637 1/20 0.61
HPGD P15428 1/20 0.61
EP300 Q09472 1/20 0.60
PTGS2 P35354 2/20 0.59
MGAM O43451 1/20 0.59
GAA P10253 1/20 0.59
SI P14410 1/20 0.59

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
SCHEMBL30969583 1.00 EGFR (0.69) EGFRXDHCYP1A2HSD11B1F3
SCHEMBL1524863 0.86 AKR1C3 (0.68) EGFRXDHCYP1A2HSD11B1F3
SCHEMBL809546 0.86 AKR1C3 (0.68) EGFRXDHCYP1A2HSD11B1F3
SCHEMBL625119 0.86 AKR1C3 (0.68) EGFRXDHCYP1A2HSD11B1F3
SCHEMBL17077426 0.83 EGFR (1.00) EGFRXDHCYP1A2
SCHEMBL17077424 0.83 EGFR (1.00) EGFRXDHCYP1A2
SCHEMBL17899555 0.82 APP (0.58) EGFRXDHCYP1A2HSD11B1F3
SCHEMBL21612525 0.82 AKR1C3 (0.62) EGFRXDHCYP1A2HSD11B1F3
SCHEMBL624537 0.82 AKR1C3 (0.62) EGFRXDHCYP1A2HSD11B1F3
SCHEMBL3438398 0.82 AKR1C3 (0.62) EGFRXDHCYP1A2HSD11B1F3

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 5 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
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 (2 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-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 EGFR 2269/4885XDH 3663/4885CYP1A2 4522/4885
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 EGFR 2269/4885XDH 3663/4885CYP1A2 4522/4885

“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.