SCHEMBL30128624

SCHEMBL30128624

CCOc1cc(C=[N+]([O-])Cc2ccc(OC)cc2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
ABCB1 P08183 1/20 0.55
BCR P11274 1/20 0.55
TOP2A P11388 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
STK17B O94768 2/20 0.46
IKBKB O14920 1/20 0.46
AURKA O14965 1/20 0.46
DAPK3 O43293 1/20 0.46
GSK3B P49841 1/20 0.46
BLK P51451 1/20 0.46
BTK Q06187 1/20 0.46
STK17A Q9UEE5 1/20 0.46
DAPK2 Q9UIK4 1/20 0.46
NFE2L2 Q16236 1/20 0.46
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL30128910 0.86 TOP2A (0.53) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL30128631 0.81 ALDH1A1 (0.60) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL30129115 0.79 MAPT (0.48) TOP2AALDH1A1MEN1KMT2ASTK17B
SCHEMBL18837422 0.79 MAPT (0.51) ABCB1TOP2AALDH1A1MEN1KMT2A
SCHEMBL18837421 0.79 MAPT (0.51) ABCB1TOP2AALDH1A1MEN1KMT2A
SCHEMBL18308933 0.79 MAPT (0.51) ABCB1TOP2AALDH1A1MEN1KMT2A
SCHEMBL9955020 0.77 ABL1 (0.66) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL9955022 0.77 ABL1 (0.66) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL30128764 0.76 ALDH1A1 (0.62) ABL1ABCB1BCRTOP2AALDH1A1
SCHEMBL18311609 0.76 ALOX15 (0.49) ABCB1TOP2AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294470-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2024-09-05 US disclosed
EP-4355728-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2024-04-24 EP disclosed
WO-2022263605-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO disclosed
WO-2022261956-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 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-20240294470-A1 FRAGRANCE COMPOUNDS FASN, FAAH2, FADS2 ABL1 4469/4885ABCB1 2501/4885BCR 3611/4885

“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.