SCHEMBL3148661

SCHEMBL3148661

CC1=C(CC[C@@H](C)CO)C(C)(C)CCC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
TRPA1 O75762 5/20 0.41
RARB P10826 2/20 0.40
RARG P13631 2/20 0.40
RARA P10276 1/20 0.40
RXRA P19793 1/20 0.40
ACE2 Q9BYF1 3/20 0.37
PDCD1 Q15116 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
ALOX5 P09917 1/20 0.36
ALOX15 P16050 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL21574083 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL891527 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL18727653 0.83 ALDH1A1 (0.43) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL11643325 0.83 ALDH1A1 (0.39) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL8776387 0.82 RARB (0.44) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL23903751 0.80 ALDH1A1 (0.40) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL3233226 0.80 ALDH1A1 (0.42) MEN1KMT2AALDH1A1GAAMAPT
Iodide SCHEMBL11792583 0.79 ALDH1A1 (0.39) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL19232219 0.79 ALDH1A1 (0.36) MEN1KMT2AALDH1A1GAAMAPT
SCHEMBL4304302 0.79 ALDH1A1 (0.49) MEN1KMT2AALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910262-B1 NAPHTHALENONE DERIVATIVE WITH POWDERY-IONONE TYPE ODOURS FIRMENICH & CIE (CH) 2010-03-03 EP disclosed
US-20080214419-A1 Naphthalenone Derivative with Powdery-Ionone Type Odors FIRMENICH SA (CH) 2008-09-04 US disclosed
EP-1910262-A1 NAPHTHALENONE DERIVATIVE WITH POWDERY-IONONE TYPE ODOURS FIRMENICH SA (CH) 2008-04-16 EP disclosed
WO-2007010420-A1 NAPHTHALENONE DERIVATIVE WITH POWDERY-IONONE TYPE ODOURS FIRMENICH SA (CH) 2007-01-25 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 (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-20080214419-A1 Naphthalenone Derivative with Powdery-Ionone Type Odors IPO5, TRPA1, SCN5A MEN1 1420/4885KMT2A 3025/4885ALDH1A1 1075/4885

“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.