SCHEMBL4599659

SCHEMBL4599659

C=C(C(=O)O)C1CCCCCCCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 1/20 0.40
SRD5A2 P31213 1/20 0.39
HSD11B1 P28845 3/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
EPHX1 P07099 2/20 0.35
RECQL P46063 1/20 0.35
HSD11B2 P80365 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SLC6A1 P30531 1/20 0.33
SLC6A11 P48066 1/20 0.33

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
SCHEMBL221713 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1122749 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL642121 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL791540 1.00 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL399595 0.97 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL29207086 0.95 CES2 (0.46) CES2CES1HDAC8HDAC6TSHR
SCHEMBL4962068 0.92
Acrylic Acid SCHEMBL1715031 0.89 LMNA (0.42) CES2CES1HDAC8HDAC6TSHR
SCHEMBL20838334 0.86 SMN1; SMN2 (0.39) CES2CES1TSHRSMN1; SMN2POLB
SCHEMBL26124 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023052127-A1 PVC MIXTURE LEONI KABEL GMBH (DE) 2023-04-06 WO disclosed
CN-113166642-A Polymeric chromophores, compositions comprising the same, and methods of making and using the same 北卡罗莱纳州立大学 2021-07-23 CN disclosed
EP-3201261-B1 METHOD FOR CURING CURABLE COMPOSITIONS BASF SE (DE) 2018-12-12 EP disclosed
EP-3201261-A1 METHOD FOR CURING CURABLE COMPOSITIONS BASF SE (DE) 2017-08-09 EP disclosed
EP-3066161-B1 COATINGS FOR USE AS ADHESIVE CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2017-07-05 EP disclosed
EP-3066161-A1 NOVEL BINDING AGENT SYSTEMS Construction Research & Technology GmbH (DE) 2016-09-14 EP disclosed
WO-2016050398-A1 METHOD FOR CURING CURABLE COMPOSITIONS BASF SE (DE) 2016-04-07 WO disclosed
WO-2015067478-A1 NOVEL BINDING AGENT SYSTEMS CONSTRUCTION RESEARCH & TECHNOLOGY GMBH (DE) 2015-05-14 WO disclosed
EP-1695146-B1 COATING MATERIALS CONTAINING alpha-(1 -HYDROXYALKYL)ACRYLATES BASF SE (DE) 2008-04-16 EP disclosed
US-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-08-30 US disclosed
EP-1695146-A1 COATING MATERIALS CONTAINING alpha-(1 -HYDROXYALKYL)ACRYLATES BASF AKTIENGESELLSCHAFT (DE) 2006-08-30 EP disclosed
WO-2005057286-A1 COATING MATERIALS CONTAINING α-(1'-HYDROXYALKYL)ACRYLATES BASF AKTIENGESELLSCHAFT (DE) 2005-06-23 WO disclosed
US-5798119-A HYDROPHILIC FORMULATION AND BENEFICIAL AGENT SURROUNDED BY WALL COMPRISING SEMIPERMEABLE HYDROPHOBIC MICROPOROUS MEMBRANE; BLOOD OXYGENATORS, MEMBRANE DISTILLATION PROCESSES S. C. JOHNSON & SON, INC. (US) 1998-08-25 US disclosed
WO-1996041621-A2 OSMOTIC-DELIVERY DEVICES HAVING VAPOR-PERMEABLE COATINGS S.C. JOHNSON & SON, INC. (US) 1996-12-27 WO disclosed
EP-0711146-A1 OSMOTIC DEVICES HAVING VAPOR-PERMEABLE COATINGS PFIZER INC. (US) 1996-05-15 EP disclosed
EP-0552603-B1 Soluble polymers BASF AG (DE) 1996-01-10 EP disclosed
WO-1995003033-A1 OSMOTIC DEVICES HAVING VAPOR-PERMEABLE COATINGS PFIZER INC. (US) 1995-02-02 WO disclosed
EP-0552603-A1 Soluble polymers BASF Aktiengesellschaft (DE) 1993-07-28 EP 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-20070203136-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS RET, MET, ABL1 CES2 1776/4885CES1 1805/4885HDAC8 2870/4885

“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.