2-Nonanone

2-Nonanone

SCHEMBL19665201

CCCCCCCC(C)=O.CCCCCCCC1CCCC1=O

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 2/20 0.39
NAAA Q02083 2/20 0.39
TLR4 O00206 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37

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
Acetic Acid SCHEMBL27869222 0.89 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6361482 0.89 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
Acetone SCHEMBL14764809 0.89 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
Acetic Acid SCHEMBL4624184 0.88 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6897307 0.87 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL486901 0.87 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL29114737 0.87 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL8024040 0.87 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL715196 0.87 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL27960807 0.87 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 US claimed
EP-3523414-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS Henkel AG & Co. KGaA (DE) 2019-08-14 EP claimed
WO-2018095814-A1 CYCLIC KETALS AS FRAGRANCE PRECURSOR COMPOUNDS HENKEL AG & CO. KGAA (DE) 2018-05-31 WO claimed
US-10941156-B2 Cyclic ketals as fragrance precursor compounds HENKEL AG & CO. KGAA (DE) 2021-03-09 US disclosed
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds HENKEL AG & CO. KGAA (DE) 2019-09-12 US disclosed
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND HENKEL AG & CO. KGAA (DE) 2017-12-07 US 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 (3 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-10941156-B2 Cyclic ketals as fragrance precursor compounds KCNK5, KLK5, KCNA1 NPC1 2638/4885RAB9A 4153/4885SMN1; SMN2 3898/4885
US-20190276469-A1 Cyclic Ketals As Fragrance Precursor Compounds KCNK5, KLK5, KCNA1 NPC1 2638/4885RAB9A 4153/4885SMN1; SMN2 3898/4885
US-20170349858-A1 PHOTOLABILE FRAGRANCE PRECURSOR COMPOUND TRPA1, CYP1A1, TRPV1 NPC1 3689/4885RAB9A 3654/4885SMN1; SMN2 4489/4885

“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.