SCHEMBL909565

SCHEMBL909565

C=CCCC(=O)CC1=CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.38
ALDH1A1 P00352 7/20 0.37
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 6/20 0.35
MAPT P10636 2/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL6165925 0.80 ALDH1A1 (0.45) TAAR1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL12935978 0.79 TAAR1 (0.33) TAAR1ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL2790140 0.78 TAAR1 (0.43) TAAR1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL10378958 0.74 ALDH1A1 (0.42) TAAR1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL15519321 0.73 HDAC2 (0.44) TAAR1
SCHEMBL861710 0.73 ALDH1A1 (0.43) TAAR1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL472109 0.73 KMT2A (0.41) TAAR1ALDH1A1HPGDSMN1; SMN2MAPT
Methyl Alcohol SCHEMBL11303461 0.73 ALDH1A1 (0.44) TAAR1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL8170012 0.72 GSTP1 (0.46) TAAR1ALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL971269 0.71 ALDH1A1 (0.47) TAAR1ALDH1A1HPGDSMN1; SMN2MAPT

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579528-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2017-02-28 US claimed
US-8841488-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2014-09-23 US claimed
US-20140030204-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2014-01-30 US claimed
EP-2268779-B1 KETONES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2013-01-02 EP claimed
US-20110014143-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-01-20 US claimed
US-9579528-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2017-02-28 US disclosed
US-9579528-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2017-02-28 US disclosed
US-9579528-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2017-02-28 US disclosed
US-8841488-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2014-09-23 US disclosed
US-8841488-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2014-09-23 US disclosed
US-8841488-B2 Ketones as perfuming ingredients FIRMENICH SA (CH) 2014-09-23 US disclosed
US-20140030204-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2014-01-30 US disclosed
EP-2268779-B1 KETONES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2013-01-02 EP disclosed
EP-2268779-B1 KETONES AS PERFUMING INGREDIENTS FIRMENICH & CIE (CH) 2013-01-02 EP disclosed
US-20110014143-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-01-20 US disclosed
US-20110014143-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-01-20 US disclosed
US-20110014143-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2011-01-20 US disclosed
EP-2268779-A1 KETONES AS PERFUMING INGREDIENTS Firmenich S.A. (CH) 2011-01-05 EP disclosed
WO-2009128026-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2009-10-22 WO disclosed
WO-2009128026-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2009-10-22 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-20140030204-A1 KETONES AS PERFUMING INGREDIENTS C5, CBR3, C9 TAAR1 2179/4885ALDH1A1 762/4885HPGD 2163/4885
US-20110014143-A1 KETONES AS PERFUMING INGREDIENTS CBR3, CBR1, C5 TAAR1 2009/4885ALDH1A1 513/4885HPGD 719/4885

“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.