SCHEMBL25515693

SCHEMBL25515693

O=C(CCC1CCCC1)c1ccc2c(c1)c1cc(C(=O)c3ccc(O)cc3)ccc1n2CCCn1c2ccc(C(=O)CCC3CCCC3)cc2c2cc(C(=O)c3ccc(O)cc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.44
ACHE P22303 4/20 0.39
HTR4 Q13639 3/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
LDLR P01130 1/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
CNR1 P21554 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GRIN2B Q13224 1/20 0.36

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
SCHEMBL23802440 0.91 CNR2 (0.48) CNR2ACHEHTR4KMT2AALDH1A1
SCHEMBL23801792 0.89 KMT2A (0.46) CNR2ACHEHTR4NPC1KMT2A
SCHEMBL23802437 0.82 CNR2 (0.47) CNR2ACHEKMT2AALDH1A1MEN1
SCHEMBL25515703 0.81 CNR2 (0.45) CNR2ACHEHTR4ALDH1A1THRB
SCHEMBL23802426 0.78 TUBB4A (0.44) CNR2NPC1KMT2AALDH1A1MEN1
SCHEMBL25516686 0.75 CNR2 (0.48) CNR2CNR1
SCHEMBL25517133 0.75 CNR2 (0.48) CNR2CNR1
SCHEMBL23801793 0.74 CNR2 (0.39) CNR2ACHEHTR4KMT2AALDH1A1
SCHEMBL22534544 0.74 CNR2 (0.46) CNR2ACHEHTR4NPC1KMT2A
SCHEMBL21610323 0.73 NPC1 (0.53) CNR2ACHENPC1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142648-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2023-05-11 US disclosed
US-20230142648-A1 OXIME ESTER PHOTOINITIATORS BASF SE (DE) 2023-05-11 US 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-20230142648-A1 OXIME ESTER PHOTOINITIATORS OCIAD1, OCIAD2, OXER1 CNR2 663/4885ACHE 1821/4885HTR4 1405/4885

“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.