SCHEMBL6801680

SCHEMBL6801680

CCCCCCCc1ccc(CC(=O)O)cc1

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.96
HSD17B10 Q99714 2/20 0.85
HPGD P15428 1/20 0.85
RARB P10826 5/20 0.62
MEN1 O00255 1/20 0.62
RARA P10276 1/20 0.62
MAPT P10636 1/20 0.62
MTOR P42345 1/20 0.62
KMT2A Q03164 1/20 0.62
ESR1 P03372 2/20 0.60
ADRA2A P08913 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
TACR2 P21452 2/20 0.60
SLC6A2 P23975 2/20 0.60
SLC6A4 P31645 2/20 0.60
SLC6A3 Q01959 2/20 0.60
KDM4E B2RXH2 1/20 0.60
LMNA P02545 1/20 0.60
SHBG P04278 1/20 0.60
TP53 P04637 1/20 0.60

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
SCHEMBL9522105 1.00 ALDH1A1 (0.96) ALDH1A1HSD17B10HPGDRARBMEN1
SCHEMBL8337401 1.00 ALDH1A1 (0.96) ALDH1A1HSD17B10HPGDRARBMEN1
SCHEMBL15261049 1.00 ALDH1A1 (0.96) ALDH1A1HSD17B10HPGDRARBMEN1
SCHEMBL2674656 1.00 ALDH1A1 (0.96) ALDH1A1HSD17B10HPGDRARBMEN1
SCHEMBL9523042 1.00 ALDH1A1 (0.96) ALDH1A1HSD17B10HPGDRARBMEN1
SCHEMBL846163 0.98 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDRARBMEN1
SCHEMBL10895715 0.93 ALDH1A1 (0.89) ALDH1A1HSD17B10HPGDRARBMEN1
SCHEMBL1445637 0.92 ALDH1A1 (1.00) ALDH1A1HSD17B10HPGDRARBMEN1
SCHEMBL12967551 0.92 ALDH1A1 (0.81) ALDH1A1HSD17B10HPGDRARBMEN1
Hydrochloric Acid SCHEMBL2529595 0.90 ALDH1A1 (0.96) ALDH1A1HSD17B10HPGDRARBTHRA

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 11 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
CN-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 CN 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
US-5128472-A Electrooptical display materials, ferroelectric display DAINIPPON INK AND CHEMICALS, INC. (JP) 1992-07-07 US disclosed
US-4997942-A 2,4-disubstituted pyrazine derivatives, pyrimidine derivatives, and liquid crystal containing the same DAINIPPON INK AND CHEMICAL, INC. (JP) 1991-03-05 US disclosed
EP-0339252-A2 2,5-disubstituted pyrazine derivatives, pyrimidine derivatives, and liquid crystal containing the same DAINIPPON INK AND CHEMICALS, INC. (JP) 1989-11-02 EP 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 ALDH1A1 800/4885HSD17B10 201/4885HPGD 592/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B ALDH1A1 700/4885HSD17B10 195/4885HPGD 677/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B ALDH1A1 737/4885HSD17B10 191/4885HPGD 661/4885

“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.