Dihydrocaryophyllen-5-One

Dihydrocaryophyllen-5-One

SCHEMBL17857855

C=C1CCC(=O)C(C)CC[C@@H]2[C@@H]1CC2(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 1.00
▸ CNR2 P34972 2/20 0.53
▸ PPARA Q07869 2/20 0.53
▸ KMT2A Q03164 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ FTH1 P02794 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ USP2 O75604 1/20 0.39
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ PTPN1 P18031 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ HSP90AA1 P07900 1/20 0.30

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
Dihydrocaryophyllen-5-One SCHEMBL24176296 1.00 CYP3A4 (1.00) CYP3A4CNR2PPARAKMT2AMEN1
Dihydrocaryophyllen-5-One SCHEMBL24176282 1.00 CYP3A4 (1.00) CYP3A4CNR2PPARAKMT2AMEN1
SCHEMBL29477300 0.76 CYP3A4 (0.61) CYP3A4CNR2PPARAKMT2AMEN1
SCHEMBL830182 0.73 CYP3A4 (0.58) CYP3A4CNR2PPARAKMT2AMEN1
SCHEMBL17865273 0.71 CNR2 (0.57) CYP3A4CNR2PPARAKMT2AMEN1
SCHEMBL18059877 0.71 CYP3A4 (0.55) CYP3A4CNR2PPARAKMT2AMEN1
SCHEMBL15588779 0.71 CYP3A4 (0.55) CYP3A4CNR2PPARAKMT2AMEN1
SCHEMBL17841781 0.70 CYP3A4 (0.54) CYP3A4CNR2PPARAKMT2AMEN1
SCHEMBL17845841 0.70 CYP3A4 (0.54) CYP3A4CNR2PPARAKMT2AMEN1
SCHEMBL17845218 0.70 CYP3A4 (0.54) CYP3A4CNR2PPARAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950982-B2 1-(7,10,10-trimethyl-4-bicyclo(6.2.0)decanyl)ethanone as novel aroma chemical BASF SE (REITSTÖTTER, KINZEBACH & PARTNER) (DE) 2018-04-24 — — US disclosed
US-9950982-B2 1-(7,10,10-trimethyl-4-bicyclo(6.2.0)decanyl)ethanone as novel aroma chemical BASF SE (REITSTÖTTER, KINZEBACH & PARTNER) (DE) 2018-04-24 — — US disclosed
US-20180002266-A1 1-(7,10,10-TRIMETHYL-4-BICYCLO(6.2.0)DECANYL)ETHANONE AS NOVEL AROMA CHEMICAL BASF SE (DE) 2018-01-04 — — US disclosed
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

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-20180002266-A1 1-(7,10,10-TRIMETHYL-4-BICYCLO(6.2.0)DECANYL)ETHANONE AS NOVEL AROMA CHEMICAL OR10J3, TAS2R10, TAS2R50 CYP3A4 876/4885CNR2 148/4885PPARA 1821/4885

“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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