SCHEMBL6799754

SCHEMBL6799754

CCCC(CCC)c1ccc(C[C@@H](O)CC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.53
ESR2 Q92731 2/20 0.53
MMP12 P39900 4/20 0.42
MMP13 P45452 4/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
GPR84 Q9NQS5 4/20 0.41
S1PR2 O95136 2/20 0.41
S1PR1 P21453 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR3 Q99500 1/20 0.41
FFAR1 O14842 1/20 0.41
TRPA1 O75762 1/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
AKR1C3 P42330 2/20 0.39
CXCR1 P25024 2/20 0.39

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
SCHEMBL6807967 0.86 ESR1 (0.51) ESR1ESR2TRPA1PTGS1PTGS2
SCHEMBL11829029 0.80 PTGS1 (0.47) ESR1MMP12MMP13MMP2MMP9
SCHEMBL6803400 0.78 S1PR2 (0.59) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6463393 0.76 KMT2A (0.49) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6803856 0.76 KMT2A (0.49) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6799056 0.75 S1PR1 (0.68) ESR1GPR84S1PR2S1PR1S1PR4
SCHEMBL6799751 0.75 S1PR1 (0.68) ESR1GPR84S1PR2S1PR1S1PR4
SCHEMBL10535065 0.74 TRPA1 (0.65) MMP12MMP13MMP2MMP9MMP14
SCHEMBL6138407 0.74 TRPA1 (0.65) MMP12MMP13MMP2MMP9MMP14
SCHEMBL1861755 0.74 TRPA1 (0.65) MMP12MMP13MMP2MMP9MMP14

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 ESR1 3294/4885ESR2 2712/4885MMP12 2293/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ESR1 3114/4885ESR2 2768/4885MMP12 2405/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ESR1 3279/4885ESR2 2706/4885MMP12 2237/4885

“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.