SCHEMBL7862056

SCHEMBL7862056

CCCCOCC(=O)COCCCC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.58
PLA2G4B P0C869 9/20 0.51
TSHR P16473 3/20 0.50
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.44
CYP3A4 P08684 1/20 0.43
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PLA2G4A P47712 1/20 0.41

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
SCHEMBL2430018 0.92 CES2 (0.68) CES2PLA2G4BTSHRPLA2G4A
SCHEMBL13832508 0.91 CES2 (0.50) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL6702677 0.90 CES2 (0.54) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL2865178 0.90 CES2 (0.72) CES2PLA2G4BTSHRPLA2G4A
SCHEMBL28145928 0.88 CES2 (0.52) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL12814326 0.88 CES2 (0.52) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL12814324 0.88 CES2 (0.52) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL20317552 0.86 CES2 (0.50) CES2PLA2G4BTSHRALDH1A1ATM
SCHEMBL14614230 0.86 CES2 (0.55) CES2PLA2G4BTSHRALDH1A1
SCHEMBL15870674 0.86 CES2 (0.50) CES2PLA2G4BTSHRALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions GLAXO GROUP LIMITED 2012-11-01 US disclosed
US-8247377-B2 Non-steroidal glucocorticoid inhibitors and their use in treating inflammation, allergy and auto-immune conditions GLAXO GROUP LIMITED (GB) 2012-08-21 US disclosed
US-20100234441-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-09-16 US disclosed
EP-1120397-A2 Process for preparing triazole derivative KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-01 EP disclosed
US-6046354-A CHEMICAL INTERMEDIATES, E.G. 2-ARYL-1,3-DIACYLOXY-2-PROPANOL, FOR DRUGS AND FUNGICIDES,E.G. (R)-2-(2,4-DIFLUOROPHENYL)-3-(1H-1,2,4-TRIAZOLE-1-YL)-PROPANE-1,2-DIOL, KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-04-04 US disclosed
US-5840553-A OPTICALLY ACTIVE 2-ARYL-3-ACYLOXY-1,2,-PROPANE DIOL USING A MICROORGANISM OR ENZYME DERIVED FROM PORCINE PANCREAS; VIA STEREOSPECIFIC HYDROLYSIS OF A 2-ARYL-1,3-DIACYLOXY-2-PROPANOL; SYNTHETIC CHEMICAL INTERMEDIATES, FUNGICIDES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5654472-A OPTICALLY PURE 2-ARYL-3-ACYLOXY-1,2-PROPANEDIOL COMPOUNDS; CHEMICAL INTERMEDIATES KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-08-05 US disclosed
EP-0704419-A1 PROCESS FOR PRODUCING TRIAZOLE DERIVATIVE KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-04-03 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 (2 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-20100234441-A1 NOVEL COMPOUNDS LTB4R2, TSLP, LTB4R CES2 3197/4885PLA2G4B 322/4885TSHR 3540/4885
US-20120277279-A1 Non-Steroidal Glucocorticoid Inhibitors and Their Use in Treating Inflammation, Allergy and Auto-Immune Conditions NR3C1, SERPINA6, PTGS1 CES2 4557/4885PLA2G4B 280/4885TSHR 3381/4885

“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.