SCHEMBL2176531

SCHEMBL2176531

CC1CC(C)C2(C)C(=O)CCCC2C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3856647 0.71 CYP19A1 (0.33)
SCHEMBL30956375 0.68 LMNA (0.35) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL30008632 0.67 CYP19A1 (0.33) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL21575977 0.66 CA1 (0.34) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL183432 0.66 CA1 (0.34) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL9419571 0.66 CA1 (0.34) MEN1ALDH1A1LMNAMAPTKMT2A
SCHEMBL2177543 0.65 ALOX15 (0.31)
SCHEMBL3002879 0.64 CYP19A1 (0.35)
Ethyne SCHEMBL28430668 0.63 CA1 (0.32) KMT2A
Formaldehyde SCHEMBL8393755 0.63 CA1 (0.32) KMT2A

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
EP-2212271-B1 PATCHOULOL ODORANT FIRMENICH & CIE (CH) 2013-01-09 EP disclosed
US-7973200-B2 Patchoulol odorant FIRMENICH SA (CH) 2011-07-05 US disclosed
US-20100209372-A1 PATCHOULOL ODORANT FIRMENICH SA 2010-08-19 US disclosed
EP-2212271-A1 PATCHOULOL ODORANT Firmenich S.A. (CH) 2010-08-04 EP disclosed
WO-2009066193-A1 PATCHOULOL ODORANT FIRMENICH SA (CH) 2009-05-28 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-20100209372-A1 PATCHOULOL ODORANT KCNJ8, TRPA1, OR10J3 MEN1 1458/4885ALDH1A1 941/4885LMNA 4037/4885

“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.