SCHEMBL6802502

SCHEMBL6802502

C=CCCC(C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.35
CYP2D6 P10635 2/20 0.34
LMNA P02545 2/20 0.33
HRH1 P35367 2/20 0.33
MAPK1 P28482 1/20 0.33
OPRD1 P41143 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
RIPK1 Q13546 1/20 0.32
HTR2A P28223 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL3140408 0.84 CYP2D6 (0.37) CYP2C19SMN1; SMN2CYP2D6LMNAHRH1
SCHEMBL3402837 0.80 CYP2C19 (0.53) CYP2C19SMN1; SMN2CYP2D6OPRD1KDM4E
SCHEMBL9479770 0.80 CYP2D6 (0.37) CYP2C19CYP2D6LMNAHRH1MAPK1
SCHEMBL3938458 0.78 CYP2C19 (0.43) CYP2C19SMN1; SMN2CYP2D6LMNAHRH1
SCHEMBL8510683 0.77 HRH1 (0.50) CYP2C19SMN1; SMN2CYP2D6LMNAHRH1
SCHEMBL12825377 0.76 HRH1 (0.56) CYP2C19CYP2D6HRH1GABBR2GABBR1
SCHEMBL21308579 0.76 AOC3 (0.42) SMN1; SMN2CYP2D6LMNAHRH1KDM4E
SCHEMBL3685590 0.76 AOC3 (0.42) SMN1; SMN2CYP2D6LMNAHRH1KDM4E
SCHEMBL13513553 0.76 TRPA1 (0.44) CYP2C19SMN1; SMN2CYP2D6LMNAHRH1
SCHEMBL4762903 0.75 CYP2C19 (0.42) CYP2C19SMN1; SMN2LMNAHRH1MAPK1

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 17 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
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-1091760-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-18 EP disclosed
US-6110933-A AN ENZYME INHIBITOR TREATING PANCREATITIS, HEPATITIS, CHRONIC RENAL FAILURE, ENDOTOXIN SHOCK, GRAM-NEGATIVE SEPTIC SHOCK, ARTHRITIS, RESPIRATORY DISEASE, HEART DISEASE, ALLERGIC DISEASE, THROMBOSIS, ARTERIOSCLEROSIS, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-29 US disclosed
WO-2000000220-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-06 WO disclosed
EP-0741697-B1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 1999-09-15 EP 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
EP-0741697-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed
WO-1995019959-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-27 WO disclosed
US-4629586-A Hexynyl alkanoates and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1986-12-16 US disclosed
US-4539209-A ENHANCING TROPICAL FLAVOR INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-09-03 US disclosed
US-4465695-A FLAVOR, AROMA ENHANCERS FOR FOODS, VITAMINS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-14 US disclosed
US-4416902-A Flavoring with cyclohexenyl-beta-methyl acrolein derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-11-22 US disclosed
US-4404184-A Flavoring with methyl-thio-2-methyl-2-pentenoate INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-09-13 US disclosed
US-4400390-A TASTE AND FLAVOR ENHANCERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-08-23 US 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 CYP2C19 502/4885SMN1; SMN2 2521/4885CYP2D6 647/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B CYP2C19 617/4885SMN1; SMN2 2406/4885CYP2D6 761/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CYP2C19 499/4885SMN1; SMN2 2331/4885CYP2D6 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.