SCHEMBL6803409

SCHEMBL6803409

CCCCc1ccc(C(C(=O)O)[C@@H](C)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.49
RARB P10826 1/20 0.49
S1PR2 O95136 2/20 0.48
S1PR4 O95977 2/20 0.48
S1PR1 P21453 2/20 0.48
S1PR3 Q99500 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
PLK1 P53350 1/20 0.45
SPHK1 Q9NYA1 4/20 0.45

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
SCHEMBL6803238 0.86 ALDH1A1 (0.47) ALDH1A1HPGDHSD17B10GAAMAPK1
SCHEMBL14240874 0.81 PTGS2 (0.61) ALDH1A1HPGDHSD17B10GAAMAPK1
SCHEMBL29394323 0.81 PTGS2 (0.61) ALDH1A1HPGDHSD17B10GAAMAPK1
SCHEMBL11441612 0.81 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10GAAMAPK1
SCHEMBL4096060 0.81 PTGS2 (0.61) ALDH1A1HPGDHSD17B10GAAMAPK1
SCHEMBL11476920 0.81 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10GAAMAPK1
Methyl Alcohol SCHEMBL28195945 0.80 PTGS2 (0.59) ALDH1A1HPGDHSD17B10GAAMAPK1
SCHEMBL28633585 0.78 CA1 (0.48) ALDH1A1HPGDHSD17B10RARBNPC1
SCHEMBL3952158 0.77 CA2 (0.52) ALDH1A1HPGDHSD17B10RARBNPC1
SCHEMBL6799759 0.77 ESR1 (0.41) RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO 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 (3 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 800/4885HPGD 592/4885HSD17B10 201/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ALDH1A1 700/4885HPGD 677/4885HSD17B10 195/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 737/4885HPGD 661/4885HSD17B10 191/4885

“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.