SCHEMBL30129115

SCHEMBL30129115

CCOc1cc(C=[N+]([O-])Cc2ccc3c(c2)OCO3)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
APP P05067 1/20 0.48
TOP2A P11388 1/20 0.46
KMT2A Q03164 4/20 0.45
POLB P06746 3/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
ATM Q13315 1/20 0.44
THRB P10828 1/20 0.44
MEN1 O00255 3/20 0.43
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
STK17B O94768 2/20 0.41

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 0.79 TOP2A (0.53) MAPTTOP2AKMT2APOLBALDH1A1
SCHEMBL30128624 0.79 ABL1 (0.55) MAPTAPPTOP2AKMT2AHPGD
Ethyl Vanillin SCHEMBL7523394 0.77 ALDH1A1 (0.72) MAPTAPPTOP2AKMT2AHPGD
SCHEMBL30128631 0.76 ALDH1A1 (0.60) MAPTTOP2AKMT2AHPGDALDH1A1
SCHEMBL29185902 0.73 POLB (0.47) MAPTKMT2APOLBHPGDALDH1A1
SCHEMBL30128764 0.72 ALDH1A1 (0.62) MAPTTOP2AKMT2AHPGDALDH1A1
SCHEMBL18308933 0.72 MAPT (0.51) MAPTAPPTOP2AKMT2APOLB
SCHEMBL18837421 0.72 MAPT (0.51) MAPTAPPTOP2AKMT2APOLB
SCHEMBL18837422 0.72 MAPT (0.51) MAPTAPPTOP2AKMT2APOLB
SCHEMBL30128781 0.71 ALDH1A1 (0.41) MAPTAPPTOP2AKMT2APOLB

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 MAPT 3089/4885APP 1353/4885TOP2A 2118/4885

“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.