SCHEMBL3921676

SCHEMBL3921676

C=CCCC(=O)C1CC=C(C)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.50
▸ ALOX15 P16050 4/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ TSHR P16473 3/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP1B1 Q16678 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FAAH O00519 4/20 0.32
▸ MAPT P10636 1/20 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
SCHEMBL3930807 0.84 LMNA (0.53) LMNAALOX15CYP3A4PTPN1MEN1
SCHEMBL10831405 0.81 LMNA (0.51) LMNAALOX15CYP3A4PTPN1MEN1
SCHEMBL4740720 0.77 LMNA (0.55) LMNAALOX15CYP3A4PTPN1MEN1
SCHEMBL4472607 0.77 LMNA (0.55) LMNAALOX15CYP3A4PTPN1MEN1
SCHEMBL3922725 0.77 LMNA (0.47) LMNAALOX15CYP3A4PTPN1MEN1
(-)-Limonene SCHEMBL8015713 0.75 LMNA (0.71) LMNAALOX15CYP3A4MEN1MAPK1
SCHEMBL3920715 0.72 LMNA (0.43) LMNAALOX15CYP3A4PTPN1MAPK1
SCHEMBL526441 0.72 — —
(-)-Limonene SCHEMBL17204330 0.72 LMNA (0.77) LMNAALOX15CYP3A4PTPN1MEN1
SCHEMBL1037667 0.71 LMNA (0.60) LMNAALOX15CYP3A4PTPN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119158-A1 Use of unsaturated ketones as a perfume PROVIDENT BANK 2005-06-02 — — US claimed
EP-1485350-A1 USE OF UNSATURATED KETONES AS A PERFUME Kao Corporation (JP) 2004-12-15 — — EP claimed
WO-2003078391-A1 USE OF UNSATURATED KETONES AS A PERFUME KAO CORPORATION (JP) 2003-09-25 — — WO claimed
US-7582600-B2 Use of unsaturated ketones as a perfume KAO CORPORATION (JP) 2009-09-01 — — US disclosed
US-7582600-B2 Use of unsaturated ketones as a perfume KAO CORPORATION (JP) 2009-09-01 — — US 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-20090054299-A1 USE OF UNSATURATED KETONES AS A PERFUME KAO CORPORATION (JP) 2009-02-26 — — 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 1511/4885ALOX15 234/4885CYP3A4 635/4885
US-20090054299-A1 USE OF UNSATURATED KETONES AS A PERFUME FFAR3, FFAR1, FASN LMNA 1417/4885ALOX15 223/4885CYP3A4 731/4885

“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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