SCHEMBL543158

SCHEMBL543158

CCCCC[C](CCCCC)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.42
CES1 P23141 4/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
FAAH O00519 1/20 0.40
MAPK1 P28482 1/20 0.40
AKR1B1 P15121 1/20 0.40
GPR84 Q9NQS5 6/20 0.39
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
PPARA Q07869 6/20 0.39
HDAC11 Q96DB2 5/20 0.39
TSHR P16473 4/20 0.39
ALDH1A1 P00352 2/20 0.39
TLR2 O60603 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
FABP4 P15090 2/20 0.39
PTPN1 P18031 2/20 0.39
SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL3247197 0.97 CES2 (0.44) CES2CES1LMNAMEN1KMT2A
SCHEMBL11444101 0.97 CES2 (0.40) CES2CES1LMNAMEN1KMT2A
SCHEMBL27816034 0.92 CES2 (0.44) CES2CES1LMNAMEN1KMT2A
SCHEMBL1533838 0.92 CES1 (0.39) CES2CES1LMNAMEN1KMT2A
SCHEMBL10910268 0.87 CES1 (0.36) CES2CES1LMNAMEN1KMT2A
SCHEMBL7951570 0.86 CES1 (0.39) CES2CES1LMNAMEN1KMT2A
SCHEMBL6340629 0.81
SCHEMBL7879640 0.77 CES2 (0.40) CES2CES1LMNAMEN1KMT2A
SCHEMBL5048524 0.77 CES2 (0.40) CES2CES1LMNAMEN1KMT2A
SCHEMBL506031 0.76 CES2 (0.56) CES2CES1MEN1KMT2AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110598-B2 (+-) Ethyl 3-{4-[2-(pyrrol-1-yl)ethoxy]phenyl}-2-ethoxypropanoate; hyperlipidaemia, hypercholesteremia, hyperglycemia, obesity, impaired glucose intolerance, leptin resistance, insulin resistance, reducing plasma glucose, triglycerides, total cholesterol, LDL, VLDL or free fatty acids in the plasma CADILA HEALTHCARE LIMITED (IN) 2012-02-07 US disclosed
US-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CADILLA HEALTHCARE LIMITED (IN) 2008-08-07 US disclosed
US-4739006-A BLEND CONTAINING ACRYLIC ESTERS AND HYDROXY SUBSTITUTED ACRYLIC ESTERS EXXON RESEARCH & ENGINEERING CO. (US) 1988-04-19 US disclosed
US-4532294-A Contacting mixture of hydroxyalkyl acrylate, other acrylates in presence of free radical initiator, liquid ester solvent EXXON RESEARCH & ENGINEERING CO. (US) 1985-07-30 US disclosed
US-4081279-A Photothermographic materials containing radiation sensitive quinone compounds and nitrobenzylidene dyes EASTMAN KODAK COMPANY (US) 1978-03-28 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 (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-20080188402-A1 NOVEL HETEROCYCLIC COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN MEDICINE CYP11B2, MAPT, CYP11B1 CES2 4162/4885CES1 2162/4885LMNA 1495/4885

“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.