SCHEMBL30128697

SCHEMBL30128697

CC(C)c1ccc(C=[N+]([O-])C(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.48
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
PIM1 P11309 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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 0.89 NPC1 (0.41) TYRNPSR1NPC1RAB9AALDH1A1
SCHEMBL6776338 0.83 APP (0.37) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL30128857 0.81 FBP1 (0.44) KDM4ENPSR1NPC1RAB9APOLB
SCHEMBL14993280 0.79 EGFR (0.42) KDM4ENPC1RAB9AALDH1A1EGFR
SCHEMBL14993281 0.79 EGFR (0.42) KDM4ENPC1RAB9AALDH1A1EGFR
SCHEMBL14993283 0.79 EGFR (0.42) KDM4ENPC1RAB9AALDH1A1EGFR
SCHEMBL566832 0.78 NPC1 (0.45) NPSR1NPC1RAB9APOLBALDH1A1
SCHEMBL13924679 0.78 NPC1 (0.45) NPSR1NPC1RAB9APOLBALDH1A1
SCHEMBL30128650 0.76 FBP1 (0.49) KDM4EPTGS2NPC1RAB9AALDH1A1
SCHEMBL5267615 0.76 ALDH1A1 (0.49) MAPK1KDM4EPTGS1MEN1KMT2A

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 TYR 571/4885MAPK1 3689/4885KDM4E 2552/4885

“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.