SCHEMBL1054489

SCHEMBL1054489

COCC1=CCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.42
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 4/20 0.41
ALOX15 P16050 2/20 0.41
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 2/20 0.38
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
MGMT P16455 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1051261 1.00 CXCR3 (0.42) CXCR3ALDH1A1RAB9AALOX15PKM
SCHEMBL1054487 1.00 CXCR3 (0.42) CXCR3ALDH1A1RAB9AALOX15PKM
SCHEMBL1050390 0.98
SCHEMBL1145336 0.91
SCHEMBL10881311 0.82 CXCR3 (0.41) CXCR3ALDH1A1RAB9AALOX15PKM
SCHEMBL10881315 0.82 CXCR3 (0.41) CXCR3ALDH1A1RAB9AALOX15PKM
SCHEMBL10881322 0.82 CXCR3 (0.41) CXCR3ALDH1A1RAB9AALOX15PKM
SCHEMBL28107737 0.81 ALDH1A1 (0.41) CXCR3ALDH1A1RAB9AALOX15PKM
SCHEMBL9414387 0.79 ALDH1A1 (0.40) CXCR3ALDH1A1RAB9AALOX15PKM
SCHEMBL13084176 0.79 CXCR3 (0.40) CXCR3ALDH1A1RAB9AALOX15PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3141538-B1 IMPROVED PROCESS STABILITY OF NBDE USING SUBSTITUTED PHENOL STABILIZERS VERSUM MAT US LLC (US) 2019-10-30 EP disclosed
EP-2318477-B1 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MAT USA INC (US) 2019-06-05 EP disclosed
EP-3141538-A1 IMPROVED PROCESS STABILITY OF NBDE USING SUBSTITUTED PHENOL STABILIZERS AIR PRODUCTS AND CHEMICALS, INC. (US) 2017-03-15 EP disclosed
EP-2141141-B1 Improved Process Stability of NBDE Using Substituted Phenol Stabilizers AIR PROD & CHEM (US) 2016-09-28 EP disclosed
EP-1931613-B1 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MATERIALS (US) 2015-11-11 EP disclosed
CN-102089405-B Additives to prevent degradation of cyclic alkene derivatives FUJIFILM ELECTRONIC MATERIALS 2013-10-16 CN disclosed
EP-1931746-B1 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MATERIALS (US) 2013-09-04 EP disclosed
US-8252704-B2 Additives to prevent degradation of cyclic alkene derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2012-08-28 US disclosed
CN-101591772-B Process stability of nbde using substituted phenol stabilizers AIR PROD & CHEM 2012-07-04 CN disclosed
US-8173213-B2 Process stability of NBDE using substituted phenol stabilizers AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-05-08 US disclosed
WO-2007033075-A2 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2007-03-22 WO disclosed
WO-2007033123-A2 ADDITIVES TO PREVENT DEGRADATION OF CYCLIC ALKENE DERIVATIVES FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2007-03-22 WO disclosed
US-20070057235-A1 Additives to prevent degradation of cyclic alkene derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2007-03-15 US disclosed
US-20070057234-A1 Additives to prevent degradation of cyclic alkene derivatives FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. 2007-03-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 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 (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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 CXCR3 2899/4885ALDH1A1 4339/4885RAB9A 3360/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CXCR3 3711/4885ALDH1A1 2435/4885RAB9A 3639/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CXCR3 3649/4885ALDH1A1 3084/4885RAB9A 3577/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CXCR3 1015/4885ALDH1A1 2333/4885RAB9A 2225/4885

“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.