SCHEMBL3205514

SCHEMBL3205514

CCCOC(C(=O)O)C(OCCC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
CHRM1 P11229 1/20 0.40
AKR1A1 P14550 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
HRH1 P35367 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL13015783 0.86 HCAR2 (0.36) HCAR2HDAC1HDAC2CHRM1AKR1A1
SCHEMBL28140342 0.85 HCAR2 (0.33) HCAR2HDAC1HDAC2CHRM1AKR1A1
SCHEMBL1196078 0.85 ATM (0.46) HCAR2ATMCA2MAPK1GPR84
SCHEMBL284645 0.85 ATM (0.46) HCAR2ATMCA2MAPK1GPR84
SCHEMBL1196777 0.85 ATM (0.46) HCAR2ATMCA2MAPK1GPR84
SCHEMBL8081881 0.84 ALDH1A1 (0.36) HCAR2HDAC1HDAC2CHRM1AKR1A1
SCHEMBL3960625 0.83 HCAR2 (0.47) HCAR2GPR84FFAR1
SCHEMBL5718514 0.81 HCAR2 (0.48) HCAR2GPR84FFAR1
SCHEMBL7652872 0.81 HCAR2 (0.48) HCAR2GPR84FFAR1
SCHEMBL712622 0.81 HCAR2 (0.48) HCAR2GPR84FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108956799-A A kind of his Wei of high performance liquid chromatography chiral mobile phases separation hydrochloric acid Dacca and its five kinds of optical isomers 覃叶枫 2018-12-07 CN disclosed
CN-108680684-A A kind of his Wei of high performance liquid chromatography chiral mobile phases separation hydrochloric acid Dacca and its five kinds of optical isomers 覃叶枫 2018-10-19 CN disclosed
CN-108645931-A A kind of his Wei of high performance liquid chromatography chiral mobile phases separation hydrochloric acid Dacca and its five kinds of optical isomers 覃叶枫 2018-10-12 CN disclosed
CN-108645930-A A kind of his Wei of high performance liquid chromatography chiral mobile phases separation hydrochloric acid Dacca and its five kinds of optical isomers 覃叶枫 2018-10-12 CN disclosed
CN-108469491-A A kind of his Wei of high performance liquid chromatography chiral mobile phases separation hydrochloric acid Dacca and its five kinds of optical isomers 覃叶枫 2018-08-31 CN disclosed
CN-105504166-B A kind of sodium alginate-acrylamide composite hydrogel and its preparation method and application 武汉理工大学 2018-06-08 CN disclosed
US-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-02-08 US disclosed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 US disclosed
US-8497273-B2 Heterocyclic compounds suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-30 US disclosed
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2010-02-25 US disclosed
US-20100035997-A1 KIT FOR APPLYING A POLYMERIZABLE ADHESIVE COMPOSITION TO TISSUES BROADLEY KENNETH N 2010-02-11 US disclosed
US-20100029978-A1 RAPIDLY CURING CYANOACRYLATES AS ADHESIVES SWORDS NOELEEN 2010-02-04 US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 US disclosed
US-20060241226-A1 GAP-FILLING CYANOACRYLATE ADHESIVE HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2006-10-26 US disclosed
US-6617385-B1 Alkylene biscyanoacrylate; addition polymer; ester plasticizer HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-09-09 US disclosed
EP-0801130-B1 Surfactant containing microemulsion cleaning composition SASOL GERMANY GMBH (DE) 2003-02-05 EP disclosed
US-6025503-A REACTING OPTICALLY ACTIVE(OR RACEMIC) TITANIUM ALKOXIDE COMPLEXES WITH CHIRAL ACTIVATORS(ESPECIALLY DIOLS) YIELDS NEW TITANIUM COMPLEXES WHICH ARE ENANTIO-SELECTIVE IN C-C BOND FORMING REACTIONS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-02-15 US disclosed
EP-0801130-A2 Surfactant containing microemulsion cleaning composition HÜLS AKTIENGESELLSCHAFT (DE) 1997-10-15 EP disclosed
EP-0483606-A2 Use of polyesters comprising condensed tartaric acid as detergent additive, process for production of the polyesters, and polyesters based upon tartaric acid and tetracarboxylic acids BASF Aktiengesellschaft (DE) 1992-05-06 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 (5 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-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF F12, F5, F3 HCAR2 4740/4885HDAC1 2330/4885HDAC2 3037/4885
US-20100035997-A1 KIT FOR APPLYING A POLYMERIZABLE ADHESIVE COMPOSITION TO TISSUES KIT, TEKT1, CUTA HCAR2 1591/4885HDAC1 4695/4885HDAC2 4813/4885
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A HCAR2 69/4885HDAC1 1194/4885HDAC2 1396/4885
US-20100029978-A1 RAPIDLY CURING CYANOACRYLATES AS ADHESIVES ICAM1, ITGA1, ITGA5 HCAR2 483/4885HDAC1 3266/4885HDAC2 3603/4885
US-20100048582-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR2C HCAR2 75/4885HDAC1 1225/4885HDAC2 1618/4885

“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.