SCHEMBL19760806

SCHEMBL19760806

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 7/20 0.52
▸ FTH1 P02794 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ CNR2 P34972 2/20 0.51
▸ PPARA Q07869 2/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PTPN1 P18031 1/20 0.41
▸ USP2 O75604 1/20 0.38
▸ CYP19A1 P11511 2/20 0.36
▸ 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
SCHEMBL24176575 1.00 CYP3A4 (0.52) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL17857879 0.82 CYP3A4 (0.50) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL16181033 0.74 CYP3A4 (0.59) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL17845840 0.70 CYP3A4 (0.51) CYP3A4FTH1CYP2C9CYP2C19CNR2
(-)-Caryophyllene Oxide SCHEMBL18788522 0.69 CYP3A4 (1.00) CYP3A4FTH1CYP2C9CYP2C19CNR2
(-)-Caryophyllene Oxide SCHEMBL24110118 0.69 CYP3A4 (1.00) CYP3A4FTH1CYP2C9CYP2C19CNR2
(-)-Caryophyllene Oxide SCHEMBL24110084 0.69 CYP3A4 (1.00) CYP3A4FTH1CYP2C9CYP2C19CNR2
(-)-Caryophyllene Oxide SCHEMBL21349931 0.69 CYP3A4 (1.00) CYP3A4FTH1CYP2C9CYP2C19CNR2
(-)-Caryophyllene Oxide SCHEMBL1532444 0.69 CYP3A4 (1.00) CYP3A4FTH1CYP2C9CYP2C19CNR2
SCHEMBL24176164 0.69 CYP3A4 (0.56) CYP3A4FTH1CYP2C9CYP2C19CNR2

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 2 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-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

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 876/4885FTH1 2626/4885CYP2C9 2213/4885

“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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