SCHEMBL30128650

SCHEMBL30128650

COc1ccc(C=[N+]([O-])C(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.49
ALDH1A1 P00352 3/20 0.45
CYP2A6 P11509 1/20 0.45
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
TRPA1 O75762 1/20 0.42
RELA Q04206 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL9891035 0.85 NPC1 (0.41) FBP1ALDH1A1NPC1RAB9AHPGD
SCHEMBL6154562 0.80 PTGS2 (0.51) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL30128857 0.78 FBP1 (0.44) FBP1ALDH1A1CYP2A6KDM4ECYP3A4
SCHEMBL13620526 0.78 FBP1 (0.53) FBP1ALDH1A1CYP2A6KDM4ECYP1A2
SCHEMBL9632582 0.78 FBP1 (0.53) FBP1ALDH1A1CYP2A6KDM4ECYP1A2
SCHEMBL30128825 0.77 VCP (0.53) ALDH1A1KDM4ECYP1A2HPGDSMN1; SMN2
SCHEMBL6776338 0.76 APP (0.37) ALDH1A1NPC1RAB9ACYP19A1NQO2
SCHEMBL14993281 0.76 EGFR (0.42) FBP1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL30128697 0.76 TYR (0.48) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL14993283 0.76 EGFR (0.42) FBP1ALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240294470-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2024-09-05 US claimed
EP-4355728-A1 FRAGRANCE COMPOUNDS Givaudan SA (CH) 2024-04-24 EP claimed
WO-2022261956-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO claimed
WO-2022263605-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO claimed
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-2022261956-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO disclosed
WO-2022263605-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 FBP1 190/4885ALDH1A1 27/4885CYP2A6 373/4885

“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.