SCHEMBL6799759

SCHEMBL6799759

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 1/20 0.41
CYP2D6 P10635 1/20 0.39
HTR2A P28223 2/20 0.36
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
AKR1C3 P42330 5/20 0.36
AKR1C2 P52895 4/20 0.36
GRIA4 P48058 1/20 0.35
PTGS2 P35354 6/20 0.35
PTGS1 P23219 4/20 0.35

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
SCHEMBL6807973 0.85 ESR1 (0.40) ESR1ESR2GRIA4ALOX5HDAC8
SCHEMBL6803409 0.77 ALDH1A1 (0.53) RARB
SCHEMBL12608892 0.76 ESR1 (0.48) ESR1ESR2CYP2D6CHRM1ADRA1A
SCHEMBL21005024 0.75 CYP2D6 (0.70) CYP2D6PTGS2LMNA
SCHEMBL20511280 0.75 CYP2D6 (0.70) CYP2D6PTGS2LMNA
SCHEMBL23903947 0.75 CYP2D6 (0.70) CYP2D6PTGS2LMNA
SCHEMBL20511263 0.75 CYP2D6 (0.70) CYP2D6PTGS2LMNA
SCHEMBL20511261 0.75 CYP2D6 (0.70) CYP2D6PTGS2LMNA
SCHEMBL11822535 0.75 CYP2D6 (0.70) CYP2D6PTGS2LMNA
SCHEMBL16816897 0.71 CYP2D6 (0.57) CYP2D6LMNAPOLBMME

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 2712/4885CYP2D6 647/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ESR1 3114/4885ESR2 2768/4885CYP2D6 761/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ESR1 3279/4885ESR2 2706/4885CYP2D6 599/4885

“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.