SCHEMBL17899489

SCHEMBL17899489

COc1cccc(/C=C2\CCC/C(=C\c3cccc(OC)c3)C2=O)c1

nearest known ligand 0.91

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.91
XDH P47989 5/20 0.75
NFE2L2 Q16236 2/20 0.71
CYP1A2 P05177 2/20 0.67
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
MEN1 O00255 1/20 0.67
MAPT P10636 1/20 0.67
PKM P14618 1/20 0.67
KMT2A Q03164 1/20 0.67
ATM Q13315 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61

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
SCHEMBL17077418 0.96 EGFR (1.00) EGFRXDHNFE2L2
SCHEMBL17077420 0.96 EGFR (1.00) EGFRXDHNFE2L2
SCHEMBL29857121 0.94 EGFR (0.81) EGFRXDHNFE2L2CYP1A2NPC1
SCHEMBL25842295 0.93 EGFR (0.80) EGFRXDHNFE2L2CYP1A2NPC1
SCHEMBL14435891 0.91 EGFR (0.76) EGFRXDHNFE2L2CYP1A2NPC1
SCHEMBL28582218 0.89 EGFR (0.74) EGFRXDHNFE2L2CYP1A2NPC1
SCHEMBL17077332 0.89 EGFR (0.89) EGFRXDHNFE2L2NPC1RAB9A
SCHEMBL30825572 0.89 EGFR (0.74) EGFRXDHNFE2L2CYP1A2NPC1
SCHEMBL1524509 0.89 EGFR (0.74) EGFRXDHNFE2L2CYP1A2NPC1
SCHEMBL1524510 0.89 EGFR (0.74) EGFRXDHNFE2L2CYP1A2NPC1

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-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-11325875-B2 Compound having chiral spirobiindane skeleton and preparation method therefor ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2022-05-10 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-2017107789-A1 COMPOUND HAVING CHIRAL SPIROBIINDANE SKELETON AND PREPARATION METHOD THEREFOR 浙江九洲药业股份有限公司 2017-06-29 WO 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 (7 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-11325875-B2 Compound having chiral spirobiindane skeleton and preparation method therefor REN, VKORC1, NR3C2 EGFR 723/4885XDH 2255/4885NFE2L2 1848/4885
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 EGFR 2269/4885XDH 3663/4885NFE2L2 1274/4885
US-11312676-B2 Small molecule stimulators of steroid receptor coactivator proteins and their use in the treatment of cancer NCOA2, NCOA1, NCOA3 EGFR 739/4885XDH 3859/4885NFE2L2 1518/4885
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 EGFR 2269/4885XDH 3663/4885NFE2L2 1274/4885
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 EGFR 2269/4885XDH 3663/4885NFE2L2 1274/4885
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 EGFR 2269/4885XDH 3663/4885NFE2L2 1274/4885
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 3663/4885NFE2L2 1274/4885

“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.