SCHEMBL10069797

SCHEMBL10069797

COc1ccc(C#CC(=O)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.72
VCP P55072 1/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
POLB P06746 1/20 0.57
NLRP3 Q96P20 1/20 0.57
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
BCHE P06276 1/20 0.50
CYP3A4 P08684 1/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
HSP90AA1 P07900 3/20 0.49
OPRK1 P41145 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49

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
SCHEMBL10069798 0.93 APP (0.72) APPVCPNPC1RAB9AMEN1
SCHEMBL10069794 0.91 APP (0.84) APPVCPNPC1RAB9AMEN1
SCHEMBL9193189 0.89 FFAR1 (0.60) APPNPC1RAB9APOLBNFKB1
SCHEMBL28695966 0.85 APP (0.75) APPVCPNPC1RAB9ACES2
SCHEMBL27167232 0.85 APP (0.75) APPVCPNPC1RAB9ACES2
SCHEMBL28629549 0.84 APP (0.73) APPVCPCES2CES1
SCHEMBL10170737 0.84 APP (0.73) APPVCPCES2CES1
SCHEMBL28972914 0.84 APP (0.73) APPVCPRAB9ACES2CES1
SCHEMBL28972824 0.84 APP (0.73) APPVCPNPC1RAB9AMEN1
SCHEMBL6241316 0.83 NPC1 (0.65) APPVCPNPC1RAB9AMEN1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250186408-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-06-12 US disclosed
CN-116354914-B Triphenylsubstituted pyrone derivative and synthetic method and application thereof 河南科技大学 2024-09-03 CN disclosed
EP-4333819-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY Katholieke Universiteit Leuven (BE) 2024-03-13 EP disclosed
CN-116354914-A Triphenylsubstituted pyrone derivative and synthetic method and application thereof 河南科技大学 2023-06-30 CN disclosed
WO-2022233877-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-11-10 WO disclosed
CN-108997362-B Pyranoindolone fused cyclic derivative and synthesis method and application thereof 华东师范大学 2021-07-27 CN disclosed
CN-109810147-B Pyrene-labeled benzimidazole nitrogen heterocyclic carbene palladium metal complex, and preparation and application thereof 中国科学院兰州化学物理研究所 2021-02-26 CN disclosed
WO-2012016619-A1 PHENETHYL, PHENETHYLENE, PHENETHYNE AND INDANONE DERIVATES IN COSMETIC FORMULATIONS, ESPECIALLY FOR USE IN SKIN AGEING PROCESSES MERCK PATENT GMBH (DE) 2012-02-09 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 (1 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-20250186408-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY CNR1, CNR2, CYP2J2 APP 1233/4885VCP 4323/4885NPC1 2657/4885

“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.