SCHEMBL6797378

SCHEMBL6797378

CCCCc1ccc(CC(=O)CC(=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 1/20 0.59
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
PLK1 P53350 1/20 0.50
POLB P06746 1/20 0.46
RARB P10826 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TRPV1 Q8NER1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL6803458 0.94 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CYP4F2CYP4A11
SCHEMBL27473665 0.88 CYP4F2 (0.68) ALDH1A1HPGDHSD17B10CYP4F2CYP4A11
SCHEMBL28235902 0.84 ALDH1A1 (0.74) ALDH1A1HPGDHSD17B10PLK1POLB
SCHEMBL23521630 0.83 ALDH1A1 (0.66) ALDH1A1HPGDHSD17B10CYP4F2CYP4A11
SCHEMBL10140460 0.82 CYP4F2 (0.50) ALDH1A1HPGDHSD17B10CYP4F2CYP4A11
SCHEMBL26239688 0.81 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10CYP4F2CYP4A11
SCHEMBL23167611 0.81 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10CYP4F2CYP4A11
SCHEMBL26239913 0.81 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CYP4F2CYP4A11
SCHEMBL26239833 0.81 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CYP4F2CYP4A11
SCHEMBL13267747 0.80 ALDH1A1 (0.69) ALDH1A1HPGDHSD17B10PLK1POLB

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.