SCHEMBL2120705

SCHEMBL2120705

[CH2]C/C=C(\C)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
AKR1B1 P15121 1/20 0.37
SQLE Q14534 1/20 0.36
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
LSS P48449 1/20 0.36
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL2120709 1.00 CES2 (0.39) CES2CES1AKR1B1SQLEGPR84
SCHEMBL26093148 0.98 CES2 (0.41) CES2CES1GPR84PPARGPPARD
SCHEMBL26092129 0.98 CES2 (0.41) CES2CES1GPR84PPARGPPARD
SCHEMBL2120752 0.93
SCHEMBL2120754 0.93
SCHEMBL2120710 0.82
SCHEMBL2120707 0.82
SCHEMBL2004922 0.80 CES2 (0.42) CES2CES1AKR1B1SQLEGPR84
SCHEMBL2004919 0.80 CES2 (0.42) CES2CES1AKR1B1SQLEGPR84
SCHEMBL25404141 0.78 SQLE (0.52) CES2CES1SQLEPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118119589-A Phenol aromatic compound precursor 奇华顿股份有限公司 2024-05-31 CN disclosed
WO-2023067040-A1 PRECURSORS OF PHENOLIC FRAGRANT COMPOUNDS GIVAUDAN SA (CH) 2023-04-27 WO disclosed
US-20150045409-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-12 US disclosed
EP-2813493-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company Limited (JP) 2014-12-17 EP disclosed
EP-2444401-B1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO (JP) 2014-09-03 EP disclosed
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2444401-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 EP disclosed
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 US 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-20150045409-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL ARG1, ACOT7, RPS8 CES2 2311/4885CES1 886/4885AKR1B1 1437/4885
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND CMA1, ACE, ALPI CES2 587/4885CES1 9/4885AKR1B1 362/4885

“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.