SCHEMBL30128880

SCHEMBL30128880

CCCCCCCCCC(C)C[N+]([O-])=Cc1ccc(O)c(OCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
TOP2A P11388 2/20 0.44
ABL1 P00519 1/20 0.41
ABCB1 P08183 1/20 0.41
BCR P11274 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
STK17B O94768 2/20 0.38
GAA P10253 4/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL30128631 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ATOP2AABL1
SCHEMBL30128908 0.76 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ATOP2AABL1
SCHEMBL9955636 0.75 TOP2A (0.52) ALDH1A1MEN1KMT2ATOP2AABL1
SCHEMBL9955639 0.75 TOP2A (0.52) ALDH1A1MEN1KMT2ATOP2AABL1
SCHEMBL9955641 0.75 TOP2A (0.52) ALDH1A1MEN1KMT2ATOP2AABL1
SCHEMBL30128810 0.75 MMP13 (0.39) NPC1RAB9A
Ethyl Vanillin SCHEMBL8818473 0.74 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ATOP2AABL1
SCHEMBL30128764 0.74 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATOP2AABL1
SCHEMBL29185741 0.73 HTR1A (0.44) ALDH1A1MEN1KMT2AKDM4EHTR1A
SCHEMBL30129143 0.73 HTR1A (0.44) ALDH1A1MEN1KMT2AKDM4EHTR1A

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 ALDH1A1 27/4885MEN1 4388/4885KMT2A 2060/4885

“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.