SCHEMBL6796313

SCHEMBL6796313

[CH2]CC(CC(CCc1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.45
ACP3 P15309 1/20 0.42
KCNH2 Q12809 3/20 0.41
SLC6A4 P31645 3/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
ANPEP P15144 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
ERAP2 Q6P179 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP13 P45452 1/20 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
SCHEMBL205557 0.90 CYP19A1 (0.49) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL1539110 0.90 CYP19A1 (0.51) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL1538484 0.88 CYP19A1 (0.50) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL1538332 0.82 CYP19A1 (0.54) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL10014856 0.81 CYP19A1 (0.45) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL1147750 0.81 CYP19A1 (0.45) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL2088797 0.81 CYP19A1 (0.47) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL7752229 0.79 KCNH2 (0.47) CYP19A1ACP3KCNH2SLC6A4SLC6A2
SCHEMBL4418036 0.79 CYP19A1 (0.48) CYP19A1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL4895660 0.79 TRPA1 (0.46) CYP19A1ACP3KCNH2SLC6A4SLC6A2

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 9 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
CN-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 CN disclosed
WO-2000000220-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-06 WO disclosed
CN-1197450-A Esters and amides as phospholipase A2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 CN 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 CYP19A1 582/4885ACP3 1223/4885KCNH2 1885/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B CYP19A1 568/4885ACP3 1342/4885KCNH2 1825/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CYP19A1 596/4885ACP3 1220/4885KCNH2 1878/4885

“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.