SCHEMBL4812475

SCHEMBL4812475

[CH2]C=C(CC)CCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
AKR1B1 P15121 1/20 0.39
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
PTPN1 P18031 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
MEN1 O00255 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL4812467 1.00 CES2 (0.40) CES2CES1AKR1B1GPR84PPARG
SCHEMBL10484316 0.98 CES2 (0.42) CES2CES1GPR84PPARGPPARD
SCHEMBL10484310 0.98 CES2 (0.42) CES2CES1GPR84PPARGPPARD
SCHEMBL11605968 0.92
SCHEMBL11605970 0.92
SCHEMBL10440476 0.81 CES1 (0.41) CES2CES1AKR1B1TSHRALDH1A1
SCHEMBL8609154 0.81
SCHEMBL8609156 0.81
SCHEMBL10640262 0.79 CES2 (0.43) CES2CES1AKR1B1GPR84PPARG
SCHEMBL73314 0.79 CES2 (0.43) CES2CES1AKR1B1GPR84PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-104114546-A AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL CO 2014-10-22 CN disclosed
US-7348457-B2 Ketol fatty acid derivatives and plant growth regulators SHISEIDO COMPANY, LTD. (JP) 2008-03-25 US disclosed
CN-1290823-C Ketol fatty acid amide derivatives and plant growth regulators SHISEIDO CO LTD (JP) 2006-12-20 CN disclosed
US-7026489-B2 Ketol fatty acid derivative and plant growth regulating agents SHISEIDO COMPANY, LTD. (JP) 2006-04-11 US disclosed
CN-1680287-A Ketol fatty acid amide derivatives and plant growth regulators SHISEIDO CO LTD (JP) 2005-10-12 CN disclosed
US-20050202974-A1 Ketol fatty acid derivatives and plant growth regulators IIDA TOSHII (JP) 2005-09-15 US disclosed
CN-1210278-C Ketol fatty acid derivatives, preparation method and plant growth regulator SHISEIDO CO LTD (JP) 2005-07-13 CN disclosed
US-20040121911-A1 Ketol fatty acid derivative and plant growth regulators IIDA TOSHII (JP) 2004-06-24 US disclosed
EP-1277756-B1 KETOL FATTY ACID DERIVATIVES AND PLANT GROWTH REGULATING AGENTS SHISEIDO CO LTD (JP) 2004-03-03 EP disclosed
CN-1419555-A Ketol fatty acid derivatives and plant growth regulators SHISEIDO CO LTD (JP) 2003-05-21 CN disclosed
EP-1277756-A1 KETOL FATTY ACID DERIVATIVES AND PLANT GROWTH REGULATING AGENTS SHISEIDO COMPANY LIMITED (JP) 2003-01-22 EP disclosed
US-4470421-A SMOKING COMPOSITIONS CONTAINING A POLYMERIZABLE OR POLYMERIZED MALONATE FLAVOR ADDITIVE PHILIP MORRIS, INCORPORATED (US) 1984-09-11 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 (3 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-20050202974-A1 Ketol fatty acid derivatives and plant growth regulators ACSL1, ACSL6, ACSL3 CES2 3229/4885CES1 118/4885AKR1B1 50/4885
US-20150045409-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL ARG1, ACOT7, RPS8 CES2 2311/4885CES1 886/4885AKR1B1 1437/4885
US-20040121911-A1 Ketol fatty acid derivative and plant growth regulators ACSL1, ACSL6, ACSL5 CES2 3666/4885CES1 191/4885AKR1B1 73/4885

“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.