SCHEMBL25515673

SCHEMBL25515673

CCCCC(CC)Cn1c2ccc(C(=O)/C(CCCCC/C(=N\OC(C)=O)C(=O)c3ccc4c(c3)c3cc(C(=O)c5ccc(OC(C)=O)cc5)ccc3n4CC(CC)CCCC)=N/OC(C)=O)cc2c2cc(C(=O)c3ccc(OC(C)=O)cc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
NPC1 O15118 2/20 0.31
ELANE P08246 1/20 0.31
TSHR P16473 2/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.31
CNR1 P21554 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL23801754 0.99 CNR2 (0.38) CNR2PTGS2ALDH1A1HPGDNPC1
SCHEMBL25515402 0.98 CNR2 (0.39) CNR2PTGS2ALDH1A1HPGDNPC1
SCHEMBL23801749 0.98 CNR2 (0.39) CNR2PTGS2ALDH1A1HPGDNPC1
SCHEMBL23801753 0.97 CNR2 (0.38) CNR2ALDH1A1HPGDNPC1ELANE
SCHEMBL23801816 0.94 CNR2 (0.37) CNR2ALDH1A1HPGDNPC1TSHR
SCHEMBL23802418 0.94 CNR2 (0.37) CNR2NPC1CNR1
SCHEMBL23801809 0.94 CNR2 (0.37) CNR2NPC1ELANECNR1
SCHEMBL23801341 0.92 CNR2 (0.41) CNR2PTGS2ALDH1A1HPGDNPC1
SCHEMBL23801808 0.92 CNR2 (0.36) CNR2ALDH1A1NPC1TSHRMAPK1
SCHEMBL23801334 0.92 CNR2 (0.35) CNR2CNR1

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 663/4885PTGS2 1837/4885ALDH1A1 964/4885

“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.