SCHEMBL6795893

SCHEMBL6795893

COC(=O)CC(=O)Cc1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
HPGD P15428 3/20 0.46
CTBP2 P56545 1/20 0.44
ALDH1A1 P00352 2/20 0.44
EGFR P00533 1/20 0.44
RAB9A P51151 4/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 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
SCHEMBL1107142 0.86 CYP4F2 (0.66) TDP1L3MBTL1CYP4F2CYP4A11HPGD
SCHEMBL15334365 0.85 GAA (0.52) TDP1L3MBTL1CYP4F2CYP4A11HPGD
SCHEMBL5802908 0.85 CA2 (0.50) CYP4F2CYP4A11ALDH1A1GAALMNA
SCHEMBL10140460 0.85 CYP4F2 (0.50) TDP1L3MBTL1CYP4F2CYP4A11HPGD
Ammonia Solution, Strong SCHEMBL28854172 0.84 CYP4F2 (0.63) TDP1L3MBTL1CYP4F2CYP4A11HPGD
SCHEMBL6025472 0.83 ALDH1A1 (0.56) L3MBTL1CYP4F2CYP4A11ALDH1A1EGFR
SCHEMBL27348043 0.83 LOXL2 (0.55) CYP4F2CYP4A11ALDH1A1SMN1; SMN2GAA
SCHEMBL10829361 0.83 CYP4F2 (0.49) L3MBTL1CYP4F2CYP4A11ALDH1A1RAB9A
SCHEMBL5431221 0.83 HTT (0.62) TDP1L3MBTL1CTBP2ALDH1A1KMT2A
SCHEMBL754043 0.83 KMT2A (0.51) TDP1L3MBTL1CYP4F2CYP4A11EGFR

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 TDP1 3849/4885L3MBTL1 4604/4885CYP4F2 660/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B TDP1 3377/4885L3MBTL1 4529/4885CYP4F2 716/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B TDP1 3809/4885L3MBTL1 4557/4885CYP4F2 565/4885

“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.