SCHEMBL459358

SCHEMBL459358

CC=CCCC(=O)CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
FFAR3 O14843 3/20 0.38
HDAC3 O15379 3/20 0.38
HDAC1 Q13547 3/20 0.38
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
FFAR1 O14842 1/20 0.35
CYP19A1 P11511 1/20 0.35
RXRA P19793 1/20 0.35
PPARG P37231 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
FAAH O00519 2/20 0.35
TERT O14746 2/20 0.34
GMNN O75496 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL11233420 1.00 CES2 (0.39) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL459357 1.00 CES2 (0.39) CES2CES1FFAR3HDAC3HDAC1
SCHEMBL7998543 0.89 MAPT (0.36) ALDH1A1MAPTFFAR1CYP19A1RXRA
SCHEMBL8720724 0.86 FAAH (0.46) ALDH1A1MAPTCYP19A1PPARGFAAH
SCHEMBL20399458 0.86 FAAH (0.46) CES2CES1ALDH1A1MAPTCYP19A1
SCHEMBL8720727 0.86 FAAH (0.46) ALDH1A1MAPTCYP19A1PPARGFAAH
SCHEMBL20399052 0.86 FAAH (0.46) CES2CES1ALDH1A1MAPTCYP19A1
SCHEMBL22689046 0.86 FAAH (0.46) CES2CES1ALDH1A1MAPTCYP19A1
SCHEMBL5964181 0.84 MAPT (0.54) CES2CES1MAPTCYP19A1PPARG
SCHEMBL18179278 0.83 ALDH1A1 (0.54) ALDH1A1MAPTFFAR1CYP19A1RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102300550-A Perfume systems 2011-12-28 CN claimed
EP-2192845-A1 TAGGING METHOD Johnson Matthey PLC (GB) 2010-06-09 EP claimed
WO-2009040563-A1 TAGGING METHOD JOHNSON MATTHEY PLC (GB) 2009-04-02 WO claimed
EP-4721579-A1 BEER-FLAVOURED NON-ALCOHOLIC BEVERAGES AND METHODS OF MAKING MFG Capital GmbH (DE) 2026-04-08 EP disclosed
WO-2021080419-A1 APHID HYPERPARASITOID ATTRACTANT NEDERLANDS INSTITUUT VOOR ECOLOGIE (NIOO-KNAW) (NL) 2021-04-29 WO disclosed
EP-2595483-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2017-03-22 EP disclosed
US-9186354-B2 Pyrrolidine derived β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2015-11-17 US disclosed
US-20140315912-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2014-10-23 US disclosed
EP-2628723-B1 Novel process for the manufacture of methyl limonitrile DSM IP ASSETS BV (NL) 2014-09-10 EP disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
EP-2276756-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-26 EP disclosed
EP-2274296-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-19 EP disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009123870-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
WO-2009124167-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-1997026926-A1 AIR FRESHENER COMPOSITION CONTAINING A FIBER PAD EASTMAN CHEMICAL COMPANY (US) 1997-07-31 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 (4 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-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CES2 2191/4885CES1 1172/4885FFAR3 127/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CES2 2191/4885CES1 1172/4885FFAR3 127/4885
US-20140315912-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CES2 2555/4885CES1 1472/4885FFAR3 60/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 CES2 2317/4885CES1 988/4885FFAR3 119/4885

“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.