SCHEMBL4334930

SCHEMBL4334930

COc1ccc(COC(=O)Nc2ccc(CC(OC(C)C)C(=O)O)cc2)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PPARA Q07869 5/20 0.39
FPR2 P25090 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
PPARD Q03181 3/20 0.38
EPHX2 P34913 1/20 0.38
LDHA P00338 1/20 0.38
NAMPT P43490 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ROCK2 O75116 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4328989 0.90 MGLL (0.43) PPARGSMN1; SMN2KMT2AFPR2MAPT
SCHEMBL4339229 0.89 LMNA (0.45) PPARGSMN1; SMN2MEN1KMT2APPARA
SCHEMBL4328684 0.88 LDHA (0.41) PPARGSMN1; SMN2KMT2APPARAPPARD
SCHEMBL4337066 0.88 SMN1; SMN2 (0.56) SMN1; SMN2TSHRMEN1KMT2AFPR2
SCHEMBL13810699 0.86 ALDH1A1 (0.43) PPARGSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4335156 0.84 NPC1 (0.50) PPARGSMN1; SMN2KMT2APPARAFPR2
SCHEMBL4341654 0.84 PPARG (0.48) PPARGSMN1; SMN2MEN1KMT2APPARA
SCHEMBL6654698 0.82 PTGDR2 (0.51) PPARGSMN1; SMN2MEN1KMT2APPARA
SCHEMBL4343670 0.82 TSHR (0.44) PPARGSMN1; SMN2TSHRMEN1KMT2A
SCHEMBL4343594 0.82 NPSR1 (0.43) PPARGSMN1; SMN2TSHRMEN1KMT2A

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
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US 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 PPARG 379/4885SMN1; SMN2 3054/4885TSHR 532/4885

“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.