SCHEMBL1957232

SCHEMBL1957232

CCCCCC(CC(=O)O)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
MMP2 P08253 10/20 0.45
MMP12 P39900 2/20 0.45
MMP9 P14780 1/20 0.45
GPR84 Q9NQS5 4/20 0.45
MMP1 P03956 4/20 0.44
MMP3 P08254 4/20 0.44
ALDH1A1 P00352 1/20 0.43
CTRC Q99895 1/20 0.42

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
SCHEMBL28184373 0.98 GPR84 (0.47) CNR2MMP2MMP12MMP9GPR84
SCHEMBL4550643 0.95 CNR2 (0.44) CNR2MMP2MMP12MMP9ALDH1A1
SCHEMBL6912967 0.89 PPARG (0.45) MMP12ALDH1A1
SCHEMBL28184358 0.85 CYSLTR2 (0.46) CNR2ALDH1A1CTRC
SCHEMBL19227459 0.85 LTA4H (0.47) CNR2ALDH1A1CTRC
SCHEMBL5536701 0.83 LTA4H (0.46) CNR2ALDH1A1CTRC
SCHEMBL28592584 0.83 LTA4H (0.46) CNR2ALDH1A1CTRC
SCHEMBL7995558 0.83 LTA4H (0.46) CNR2ALDH1A1CTRC
SCHEMBL28590813 0.83 LTA4H (0.46) CNR2ALDH1A1CTRC
SCHEMBL28597219 0.83 LTA4H (0.46) CNR2ALDH1A1CTRC

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
US-20130071547-A1 LOW CALORIC FAT REPLACERS NESTEC S.A. (CH) 2013-03-21 US claimed
EP-2509452-A2 LOW CALORIC FAT REPLACERS Nestec S.A. (CH) 2012-10-17 EP claimed
WO-2011069958-A2 LOW CALORIC FAT REPLACERS NESTEC S.A. (CH) 2011-06-16 WO claimed
EP-2332427-A1 low caloric fat replacers Nestec S.A. (CH) 2011-06-15 EP claimed
US-10246470-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2019-04-02 US disclosed
US-20180346486-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2018-12-06 US disclosed
US-10011609-B2 Heterocyclic compounds CADILA HEALTHCARE LIMITED (IN) 2018-07-03 US disclosed
CN-104755510-B Ziegler natta catalyst system of internal donor and preparation method thereof is used as comprising 1,2 phenylene diester 印度石油有限公司 2017-11-07 CN disclosed
EP-3068788-A1 NOVEL HETEROCYCLIC COMPOUNDS Cadila Healthcare Limited (IN) 2016-09-21 EP disclosed
US-20160257701-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2016-09-08 US disclosed
CN-105722841-A Novel Heterocyclic Compounds 卡迪拉保健有限公司 2016-06-29 CN disclosed
WO-2015097713-A1 NOVEL HETEROCYCLIC COMPOUNDS CADILA HEALTHCARE LIMITED (IN) 2015-07-02 WO disclosed
US-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2015-04-30 US disclosed
EP-2804603-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE President and Fellows of Harvard College (US) 2014-11-26 EP disclosed
WO-2013106547-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-18 WO disclosed
US-20130071547-A1 LOW CALORIC FAT REPLACERS NESTEC S.A. (CH) 2013-03-21 US disclosed
EP-2509452-A2 LOW CALORIC FAT REPLACERS Nestec S.A. (CH) 2012-10-17 EP disclosed
WO-2011069958-A2 LOW CALORIC FAT REPLACERS NESTEC S.A. (CH) 2011-06-16 WO disclosed
EP-2332427-A1 low caloric fat replacers Nestec S.A. (CH) 2011-06-15 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-20150119399-A1 BETA-CELL REPLICATION PROMOTING COMPOUNDS AND METHODS OF THEIR USE IAPP, GPR119, PCNA CNR2 3675/4885MMP2 2342/4885MMP12 3307/4885
US-10011609-B2 Heterocyclic compounds GPR55, GPR68, GPR65 CNR2 59/4885MMP2 4855/4885MMP12 4728/4885
US-20180346486-A1 NOVEL HETEROCYCLIC COMPOUNDS HK1, HAAO, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CNR2 830/4885MMP2 2936/4885MMP12 3273/4885
US-10246470-B2 Heterocyclic compounds HAAO, HK1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 CNR2 819/4885MMP2 3006/4885MMP12 3974/4885
US-20160257701-A1 NOVEL HETEROCYCLIC COMPOUNDS GPR55, GPR68, GPR65 CNR2 53/4885MMP2 4842/4885MMP12 4709/4885

“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.