SCHEMBL909693

SCHEMBL909693

C=C(C)CCC(=O)CC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
HPGD P15428 3/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 2/20 0.34
LMNA P02545 1/20 0.33
NPC1 O15118 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX7 Q99572 1/20 0.33
HSD11B1 P28845 1/20 0.33
RAB9A P51151 1/20 0.33
ALOX5 P09917 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
SCHEMBL8535268 0.84 HPGD (0.42) EPHX1HPGDKMT2AEPHX2LMNA
SCHEMBL8106988 0.80 HPGD (0.42) EPHX1HPGDKMT2AEPHX2LMNA
SCHEMBL1916162 0.78 LMNA (0.53) EPHX1HPGDKMT2AEPHX2LMNA
SCHEMBL3069324 0.77 EPHX1 (0.40) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL14354172 0.77 EPHX1 (0.40) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL1148328 0.76 EPHX1 (0.54) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL7945281 0.76 EPHX1 (0.54) EPHX1HPGDKMT2AEPHX2NPC1
SCHEMBL19867672 0.76 KMT2A (0.38) EPHX1HPGDKMT2AEPHX2LMNA
SCHEMBL3656797 0.76 TSHR (0.48) EPHX1HPGDKMT2AEPHX2LMNA
SCHEMBL4439073 0.75 HPGD (0.41) EPHX1HPGDKMT2AEPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20140030204-A1 KETONES AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 2014-01-30 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
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 EPHX1 2107/4885HPGD 2163/4885KMT2A 1237/4885
US-20110014143-A1 KETONES AS PERFUMING INGREDIENTS CBR3, CBR1, C5 EPHX1 447/4885HPGD 719/4885KMT2A 1571/4885

“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.