SCHEMBL2189944

SCHEMBL2189944

CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)O.CCC=CC(=O)OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.60
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
PPARA Q07869 1/20 0.40
GABRR1 P24046 2/20 0.39
GABRR2 P28476 2/20 0.39
BLM P54132 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TTR P02766 1/20 0.38

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
SCHEMBL5834728 0.91
SCHEMBL690353 0.91
SCHEMBL690239 0.91
Crotonic Acid SCHEMBL38664646 0.90 HCAR2 (0.54) HCAR2KEAP1NFE2L2ALDH1A1ALOX15
Hydrochloric Acid SCHEMBL31275468 0.89
Methyl Alcohol SCHEMBL10525144 0.89 HCAR2 (0.57) HCAR2KEAP1NFE2L2ALDH1A1ALOX15
Benzene SCHEMBL27601984 0.87 HCAR2 (0.50) HCAR2KEAP1NFE2L2ALDH1A1ALOX15
SCHEMBL31172069 0.86 HCAR2 (0.65) HCAR2KEAP1NFE2L2ALDH1A1ALOX15
(2E)-Hexenoic Acid SCHEMBL2191923 0.85 HCAR2 (0.58) HCAR2KEAP1NFE2L2ALDH1A1ALOX15
(2E)-Hexenoic Acid SCHEMBL28035225 0.85 HCAR2 (0.58) HCAR2KEAP1NFE2L2ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111650286-A Method for detecting medium-long chain fatty acid in human serum based on gas chromatography-mass spectrometry 上海中科新生命生物科技有限公司 2020-09-11 CN claimed
CN-112433012-A Construction method and application of chicken quality fatty acid evaluation model 华南农业大学 2021-03-02 CN disclosed
CN-111650286-A Method for detecting medium-long chain fatty acid in human serum based on gas chromatography-mass spectrometry 上海中科新生命生物科技有限公司 2020-09-11 CN disclosed
US-8791158-B2 Methods of treating meibomian gland dysfunction GTX, INC. (US) 2014-07-29 US disclosed
EP-2523556-A1 METHODS OF TREATING MEIBOMIAN GLAND DYSFUNCTION Gtx, Inc. (US) 2012-11-21 EP disclosed
US-20110172302-A1 METHODS OF TREATING MEIBOMIAN GLAND DYSFUNCTION UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2011-07-14 US disclosed
WO-2011085385-A1 METHODS OF TREATING MEIBOMIAN GLAND DYSFUNCTION GTX, INC. (US) 2011-07-14 WO disclosed
CN-101265185-B Process for preparing and separating methyl docosapentaenoate and methyl docosahexenoate UNIV TIANJIN 2010-07-21 CN disclosed
CN-101265185-A Process for preparing and separating methyl docosapentaenoate and methyl docosahexenoate UNIV TIANJIN (CN) 2008-09-17 CN disclosed
JP-2004002269-A CARCINOGENESIS-PREVENTING AGENT UNIV NIHON 2004-01-08 JP disclosed
US-6242013-B1 Method and composition for enhancing oleic acid content of milk produced by ruminants LAND O'LAKES, INC. 2001-06-05 US disclosed
EP-0913473-A1 PROCESS FOR PRODUCING ICOSAPENTAENOIC ACID BY GENETIC RECOMBINATION SAGAMI CHEMICAL RESEARCH CENTER (JP) 1999-05-06 EP disclosed
US-5798259-A Gene coding for eicosapentaenoic acid synthesizing enzymes and process for production of eicosapentaenoic acid SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-08-25 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 (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-20110172302-A1 METHODS OF TREATING MEIBOMIAN GLAND DYSFUNCTION MGLL, LIPA, PON1 HCAR2 2390/4885KEAP1 1020/4885NFE2L2 1768/4885

“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.