SCHEMBL115558

SCHEMBL115558

CC(CO)CCCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
SIGMAR1 Q99720 6/20 0.44
LMNA P02545 1/20 0.43
GRIA4 P48058 1/20 0.43
ESRRG P62508 2/20 0.42
RECQL P46063 1/20 0.42
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NR1H4 Q96RI1 1/20 0.40
SLC13A5 Q86YT5 2/20 0.39
EBP Q15125 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL10597831 0.83 KCNH2 (0.49) KCNH2SIGMAR1LMNAGRIA4ESRRG
SCHEMBL6948447 0.82 KCNH2 (0.55) KCNH2SIGMAR1LMNAGRIA4ESRRG
SCHEMBL6991319 0.81 BCHE (0.40) KCNH2SIGMAR1TP53TSHR
SCHEMBL6991568 0.79 MMP2 (0.35) LMNATP53TSHREPHX1
SCHEMBL113058 0.79 RAB9A (0.41) LMNATSHREPHX1
SCHEMBL8323180 0.78 TSHR (0.55) SIGMAR1LMNAGRIA4RECQLTP53
SCHEMBL8967452 0.78 TSHR (0.55) SIGMAR1LMNAGRIA4RECQLTP53
SCHEMBL444104 0.78 TSHR (0.55) SIGMAR1LMNAGRIA4RECQLTP53
SCHEMBL111796 0.78 TRPA1 (0.47) SIGMAR1LMNA
SCHEMBL1219727 0.77 KCNH2 (0.58) KCNH2SIGMAR1LMNAESRRGNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424829-B1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2015-01-07 EP disclosed
US-8623340-B2 Omega-cyclohexylalkan-1-oles and use thereof as antimicrobial actives to combat body odor SYMRISE AG (DE) 2014-01-07 US disclosed
US-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE AG (DE) 2012-05-03 US disclosed
EP-2424829-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR Symrise AG (DE) 2012-03-07 EP disclosed
WO-2009101216-A2 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR SYMRISE GMBH & CO. KG (DE) 2009-08-20 WO disclosed
EP-0908439-B1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 2003-01-02 EP disclosed
EP-0908439-A1 Use of substituted 5-phenyl-pentanols as flavour and perfume HAARMANN & REIMER GMBH (DE) 1999-04-14 EP 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-20120107258-A1 OMEGA-CYCLOHEXYLALKAN-1-OLES AND USE THEREOF AS ANTIMICROBIAL ACTIVES TO COMBAT BODY ODOR ALOX12, ALOX15, ALOX15B KCNH2 2630/4885SIGMAR1 24/4885LMNA 3689/4885

“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.