SCHEMBL2706121

SCHEMBL2706121

CC1CCCC(C)(C)C1CCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 5/20 0.53
CDC25A P30304 1/20 0.41
CYP1A2 P05177 1/20 0.36
ALOX5 P09917 1/20 0.36
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.32
NR1I2 O75469 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
APEX1 P27695 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2707186 0.90 UGT2B7 (0.51) UGT2B7CDC25ACYP1A2ALOX5HSD17B10
SCHEMBL28679355 0.87 UGT2B7 (0.41) UGT2B7CDC25A
SCHEMBL2463622 0.84 UGT2B7 (0.39) UGT2B7CDC25A
SCHEMBL2465723 0.82 UGT2B7 (0.40) UGT2B7
SCHEMBL2706965 0.81 ALDH1A1 (0.40) UGT2B7CYP1A2ALDH1A1NR1I2TSHR
SCHEMBL1149570 0.80 UGT2B7 (0.38) UGT2B7CYP1A2ALDH1A1
SCHEMBL8050170 0.80 CYP1A2 (0.40) UGT2B7CDC25ACYP1A2CYP2C9
SCHEMBL8050172 0.80 CYP1A2 (0.40) UGT2B7CDC25ACYP1A2CYP2C9
SCHEMBL8050175 0.80 CYP1A2 (0.40) UGT2B7CDC25ACYP1A2CYP2C9
SCHEMBL7939563 0.80 UGT2B7 (0.49) UGT2B7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194651-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN S.A. (CH) 2014-07-10 US claimed
CN-101652342-B Organic compound for masking unpleasant feeling GIVAUDAN SA 2014-01-29 CN claimed
US-8409649-B2 Off-note blocking sensory organic compounds GIVAUDAN S.A. (CH) 2013-04-02 US claimed
EP-2139841-B1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2012-05-02 EP claimed
US-20100284944-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 US claimed
CN-101652342-A Organic compound for masking unpleasant feeling GIVAUDAN SA CH 2010-02-17 CN claimed
EP-2139841-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP claimed
WO-2008119196-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-09 WO claimed
EP-4138574-A1 COMPOSITIONS Givaudan SA (CH) 2023-03-01 EP disclosed
WO-2021214008-A1 COMPOSITIONS GIVAUDAN SA (CH) 2021-10-28 WO disclosed
WO-2021214008-A1 COMPOSITIONS GIVAUDAN SA (CH) 2021-10-28 WO disclosed
US-20200345049-A1 COMPOSITIONS GIVAUDAN SA (CH) 2020-11-05 US disclosed
US-20200345049-A1 COMPOSITIONS GIVAUDAN SA (CH) 2020-11-05 US disclosed
US-9451784-B2 Off-note blocking sensory organic compounds GIVAUDAN S.A. (CH) 2016-09-27 US disclosed
US-20100284944-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 US disclosed
US-20100284944-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2010-11-11 US disclosed
CN-101652342-A Organic compound for masking unpleasant feeling GIVAUDAN SA CH 2010-02-17 CN disclosed
EP-2139841-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS Givaudan SA (CH) 2010-01-06 EP disclosed
WO-2008119196-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-09 WO disclosed
WO-2008119196-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2008-10-09 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-20100284944-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS SORD, OTC, ASPH UGT2B7 1959/4885CDC25A 4113/4885CYP1A2 3689/4885
US-20140194651-A1 OFF-NOTE BLOCKING SENSORY ORGANIC COMPOUNDS SORD, OTC, ASPH UGT2B7 1959/4885CDC25A 4113/4885CYP1A2 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.