SCHEMBL4339829

SCHEMBL4339829

CCOC(=O)C(Cc1cccc(C(C)(O)C#Cc2ccc(Cl)cc2)c1)OC(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.34
PPARG P37231 6/20 0.34
PTGES O14684 3/20 0.34
ACACB O00763 2/20 0.34
MDM2 Q00987 2/20 0.33
TP53 P04637 2/20 0.33
AKR1C3 P42330 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
THRB P10828 2/20 0.32
ABCB11 O95342 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL4329800 0.89 PPARA (0.42) PPARAPPARGPTGES
SCHEMBL4341220 0.82 MAPK1 (0.35) PPARAPPARGTP53THRBCYP1A2
SCHEMBL4329872 0.82 MAPK1 (0.35) PPARAPPARGTP53THRBCYP1A2
SCHEMBL4337056 0.80 PPARA (0.42) PPARAPPARG
SCHEMBL4338932 0.79 PPARA (0.45) PPARAPPARGPTGESCYP1A2CYP3A4
SCHEMBL4341762 0.77 PPARA (0.42) PPARAPPARGLMNA
SCHEMBL4333099 0.75 ACACB (0.46) PPARAPPARGPTGESACACB
SCHEMBL4332660 0.75 PPARA (0.47) PPARAPPARGPTGESCYP1A2CYP3A4
SCHEMBL4335668 0.73 PPARG (0.42) PPARAPPARGPTGES
SCHEMBL4339684 0.73 ACACB (0.40) PPARAPPARGPTGESACACBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 PPARA 339/4885PPARG 379/4885PTGES 3685/4885

“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.