SCHEMBL5355608

SCHEMBL5355608

COC(=O)C(C)c1ccc(OC)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.49
PTGS1 P23219 3/20 0.49
MT-CO2 P00403 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
MEN1 O00255 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL5022505 0.83 CYP2C19 (0.54) PTGS2PTGS1MT-CO2ALDH1A1HPGD
SCHEMBL31409467 0.83 CYP2C19 (0.54) PTGS2PTGS1MT-CO2ALDH1A1HPGD
SCHEMBL31409463 0.83 CYP2C19 (0.54) PTGS2PTGS1MT-CO2ALDH1A1HPGD
SCHEMBL487560 0.83 ALDH1A1 (0.50) KDM4EALDH1A1HPGDNPSR1LCK
SCHEMBL31083332 0.83 CYP2C19 (0.54) PTGS2PTGS1MT-CO2ALDH1A1HPGD
SCHEMBL2742620 0.83 ALDH1A1 (0.51) PTGS2PTGS1MT-CO2KDM4EALDH1A1
SCHEMBL11089399 0.81 PTGS2 (0.49) PTGS2PTGS1MT-CO2KDM4EALDH1A1
SCHEMBL9503753 0.80 MAPT (0.62) PTGS2PTGS1ALDH1A1HPGDNPSR1
SCHEMBL7241661 0.79 ALDH1A1 (0.51) PTGS2PTGS1MT-CO2ALDH1A1MEN1
SCHEMBL19374620 0.78 ALDH1A1 (0.48) KDM4EALDH1A1HPGDNPSR1LCK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176204-B2 Substituted carboxylic acid derivatives KYORIN PAHRMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20050101521-A1 Substituted carboxylic acid derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1348698-A1 SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Kyorin Pharmaceutical Co., Ltd. (JP) 2003-10-01 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 (1 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-20050101521-A1 Substituted carboxylic acid derivatives PPARG, PPARA, PPARD PTGS2 2204/4885PTGS1 1350/4885MT-CO2 1934/4885

“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.