SCHEMBL6803238

SCHEMBL6803238

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SPHK1 Q9NYA1 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RARB P10826 1/20 0.44
PLK1 P53350 1/20 0.44
GAA P10253 1/20 0.44
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
CA2 P00918 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 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
SCHEMBL6803409 0.86 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10SPHK1SMN1; SMN2
SCHEMBL27348663 0.81 NPC1 (0.44) ALDH1A1HPGDHSD17B10SPHK1SMN1; SMN2
SCHEMBL6803287 0.81 NPC1 (0.44) ALDH1A1HPGDHSD17B10SPHK1SMN1; SMN2
SCHEMBL6802684 0.79 CA2 (0.42) ALDH1A1HPGDHSD17B10SMN1; SMN2NPC1
SCHEMBL6807973 0.78 ESR1 (0.40) HSD17B10
SCHEMBL7290900 0.78 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10SMN1; SMN2NPC1
SCHEMBL28633585 0.76 CA1 (0.48) ALDH1A1HPGDHSD17B10SPHK1SMN1; SMN2
SCHEMBL3952158 0.76 CA2 (0.52) ALDH1A1HPGDHSD17B10SMN1; SMN2NPC1
SCHEMBL4055722 0.75 CA2 (0.55) ALDH1A1HPGDHSD17B10SMN1; SMN2RARB
SCHEMBL9475225 0.74 ALOX5 (0.66) ALDH1A1HPGDHSD17B10

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.