SCHEMBL3930807

SCHEMBL3930807

C=CCC(=O)C1CC=C(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.53
▸ TSHR P16473 3/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ ALOX15 P16050 4/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TAS2R46 P59540 4/20 0.31
▸ TAS2R31 P59538 2/20 0.31
▸ TAS2R10 Q9NYW0 2/20 0.31

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
SCHEMBL3921676 0.84 LMNA (0.50) LMNATSHRTRPA1ALOX15CYP3A4
SCHEMBL4472607 0.80 LMNA (0.55) LMNATSHRTRPA1ALOX15CYP3A4
SCHEMBL4740720 0.80 LMNA (0.55) LMNATSHRTRPA1ALOX15CYP3A4
SCHEMBL3922725 0.79 LMNA (0.47) LMNATSHRTRPA1ALOX15CYP3A4
SCHEMBL3920715 0.78 LMNA (0.43) LMNATSHRTRPA1ALOX15CYP3A4
SCHEMBL10831405 0.77 LMNA (0.51) LMNATSHRTRPA1ALOX15CYP3A4
(-)-Limonene SCHEMBL17204330 0.74 LMNA (0.77) LMNATSHRTRPA1ALOX15CYP3A4
SCHEMBL12909964 0.73 LMNA (0.66) LMNATSHRTRPA1ALOX15CYP3A4
SCHEMBL1037667 0.73 LMNA (0.60) LMNATSHRTRPA1ALOX15CYP3A4
SCHEMBL937050 0.73 LMNA (0.60) LMNATSHRTRPA1ALOX15CYP3A4

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
EP-1485350-B1 USE OF UNSATURATED KETONES AS A PERFUME KAO CORP (JP) 2013-07-17 — — EP disclosed
US-7582600-B2 Use of unsaturated ketones as a perfume KAO CORPORATION (JP) 2009-09-01 — — US disclosed
US-20090054299-A1 USE OF UNSATURATED KETONES AS A PERFUME KAO CORPORATION (JP) 2009-02-26 — — US disclosed
US-20050119158-A1 Use of unsaturated ketones as a perfume PROVIDENT BANK 2005-06-02 — — US disclosed
EP-1485350-A1 USE OF UNSATURATED KETONES AS A PERFUME Kao Corporation (JP) 2004-12-15 — — EP disclosed
WO-2003078391-A1 USE OF UNSATURATED KETONES AS A PERFUME KAO CORPORATION (JP) 2003-09-25 — — 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 (2 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-20050119158-A1 Use of unsaturated ketones as a perfume FAAH, FAAH2, FASN LMNA 1511/4885TSHR 1702/4885TRPA1 342/4885
US-20090054299-A1 USE OF UNSATURATED KETONES AS A PERFUME FFAR3, FFAR1, FASN LMNA 1417/4885TSHR 1794/4885TRPA1 469/4885

“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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