SCHEMBL30128875

SCHEMBL30128875

CCCCCCCCCCCC=[N+]([O-])Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.40
FAAH O00519 2/20 0.40
DNM1 Q05193 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
KCNH2 Q12809 3/20 0.38
HTT P42858 2/20 0.38
SIGMAR1 Q99720 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
SCHEMBL29094817 0.93 SMN1; SMN2 (0.36) EPHX2DNM1MEN1KMT2ATP53
SCHEMBL30128980 0.88 ALDH1A1 (0.38) EPHX2DNM1MEN1KMT2ATP53
SCHEMBL11818883 0.86 TP53 (0.38) TP53SMN1; SMN2KCNH2SIGMAR1
SCHEMBL30128926 0.83 HDAC1 (0.36)
SCHEMBL29185800 0.83 HDAC1 (0.36)
SCHEMBL29185813 0.81 FAAH (0.43) EPHX2FAAHDNM1CNR1CNR2
SCHEMBL30128893 0.81 FAAH (0.43) EPHX2FAAHDNM1CNR1CNR2
SCHEMBL30128773 0.81 FAAH (0.43) EPHX2FAAHDNM1CNR1CNR2
SCHEMBL30128676 0.81 FAAH (0.43) EPHX2FAAHDNM1CNR1CNR2
SCHEMBL30128674 0.80 FAAH (0.41) EPHX2FAAHCNR1CNR2KCNH2

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 9 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-2022263605-A1 FRAGRANCE COMPOUNDS GIVAUDAN SA (CH) 2022-12-22 WO claimed
WO-2022261956-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
CN-117500783-A Perfume compounds 奇华顿股份有限公司 2024-02-02 CN 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 EPHX2 364/4885FAAH 10/4885DNM1 4878/4885

“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.