15-Norcaryophyllen-3-One

15-Norcaryophyllen-3-One

SCHEMBL677511

C/C1=C/CCC(=O)[C@H]2CC(C)(C)[C@@H]2CC1

nearest known ligand 0.69

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ CNR2 P34972 2/20 0.69
▸ PPARA Q07869 2/20 0.69
▸ CYP3A4 P08684 7/20 0.50
▸ TAS2R46 P59540 4/20 0.38
▸ PKM P14618 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TERT O14746 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TP53 P04637 3/20 0.36
▸ NLRP3 Q96P20 2/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ STAT6 P42226 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ PTGS2 P35354 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
15-Norcaryophyllen-3-One SCHEMBL677541 1.00 MEN1 (0.69) MEN1KMT2ACNR2PPARACYP3A4
Beta-Caryophyllene SCHEMBL4195149 0.82 CNR2 (1.00) MEN1KMT2ACNR2PPARACYP3A4
Beta-Caryophyllene SCHEMBL4195140 0.82 CNR2 (1.00) MEN1KMT2ACNR2PPARACYP3A4
Caryophyllene SCHEMBL310637 0.82 CNR2 (1.00) MEN1KMT2ACNR2PPARACYP3A4
Beta-Caryophyllene SCHEMBL4195147 0.82 CNR2 (1.00) MEN1KMT2ACNR2PPARACYP3A4
Beta-Caryophyllene SCHEMBL24774027 0.82 CNR2 (1.00) MEN1KMT2ACNR2PPARACYP3A4
Caryophyllene SCHEMBL4355327 0.82 CNR2 (1.00) MEN1KMT2ACNR2PPARACYP3A4
Beta-Caryophyllene SCHEMBL3505514 0.82 CNR2 (1.00) MEN1KMT2ACNR2PPARACYP3A4
Beta-Caryophyllene SCHEMBL22607973 0.82 CNR2 (1.00) MEN1KMT2ACNR2PPARACYP3A4
Beta-Caryophyllene SCHEMBL113830 0.82 CNR2 (1.00) MEN1KMT2ACNR2PPARACYP3A4

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
WO-2016097238-A1 1-(7,10,10-TRIMETHYL-4-BICYCLO(6.2.0)DECANYL)ETHANONE AS NOVEL AROMA CHEMICAL BASF SE (DE) 2016-06-23 — — WO disclosed
WO-2016097239-A1 PROCESS FOR PREPARING 1-[(1R,4R/S,8S)-10,10-DIMETHYL-7-METHYLENE-4-BICYCLO[6.2.0]DECANYL]ETHANONE BASF SE (DE) 2016-06-23 — — WO disclosed
US-8057829-B2 Methods for repelling insects using sesquiterpene hydrocarbons and their derivatives STERLING INTERNATIONAL INC. (US) 2011-11-15 — — US disclosed
US-8057829-B2 Methods for repelling insects using sesquiterpene hydrocarbons and their derivatives STERLING INTERNATIONAL INC. (US) 2011-11-15 — — US disclosed
US-20100166896-A1 METHODS FOR REPELLING INSECTS USING SESQUITERPENE HYDROCARBONS AND THEIR DERIVATIVES STERLING INTERNATIONAL INC. (US) 2010-07-01 — — US disclosed
US-20100166896-A1 METHODS FOR REPELLING INSECTS USING SESQUITERPENE HYDROCARBONS AND THEIR DERIVATIVES STERLING INTERNATIONAL INC. (US) 2010-07-01 — — 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 (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-20100166896-A1 METHODS FOR REPELLING INSECTS USING SESQUITERPENE HYDROCARBONS AND THEIR DERIVATIVES CYP51A1, LSS, DAGLA MEN1 3334/4885KMT2A 4372/4885CNR2 425/4885

“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.

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