SCHEMBL3146722

SCHEMBL3146722

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RARB P10826 2/20 0.41
RARG P13631 2/20 0.41
RXRA P19793 2/20 0.41
RARA P10276 1/20 0.41
TRPA1 O75762 5/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
ALOX5 P09917 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP1A2 P05177 1/20 0.36
ACE2 Q9BYF1 3/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
HAO1 Q9UJM8 1/20 0.34

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
SCHEMBL454132 1.00 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL4913470 1.00 ALDH1A1 (0.42) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL13554953 0.84 ALDH1A1 (0.41) ALDH1A1GAAMAPTNPSR1RARB
Cinnamaldehyde SCHEMBL15602703 0.83 RARB (0.41) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL23903751 0.82 ALDH1A1 (0.40) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL14164361 0.82 RARB (0.40) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL21757486 0.82 MEN1 (0.38) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL18727653 0.82 ALDH1A1 (0.43) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL9213310 0.81 RARB (0.39) ALDH1A1GAAMAPTNPSR1RARB
SCHEMBL2039596 0.80 RARB (0.45) ALDH1A1GAAMAPTNPSR1RARB

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
US-20080214419-A1 Naphthalenone Derivative with Powdery-Ionone Type Odors FIRMENICH SA (CH) 2008-09-04 US claimed
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 ALDH1A1 1075/4885GAA 4654/4885MAPT 1510/4885

“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.