SCHEMBL4339229

SCHEMBL4339229

COc1ccc(COC(=O)Nc2ccc(CC(OC(C)C)C(=O)O)cc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
AAK1 Q2M2I8 1/20 0.39
PPARA Q07869 5/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FPR2 P25090 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL4341708 0.91 ALDH1A1 (0.44) LMNAALDH1A1GAAMAPTKDM4E
SCHEMBL4334930 0.89 PPARG (0.46) ALDH1A1KMT2AMAPTMEN1SMN1; SMN2
SCHEMBL4482826 0.88 ALDH1A1 (0.41) LMNAALDH1A1GAAKMT2AMAPT
SCHEMBL4337066 0.87 SMN1; SMN2 (0.56) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL4335156 0.83 NPC1 (0.50) LMNAALDH1A1KMT2AMAPTRAB9A
SCHEMBL6654698 0.81 PTGDR2 (0.51) LMNAALDH1A1KMT2AMAPTMEN1
SCHEMBL4343670 0.81 TSHR (0.44) ALDH1A1KMT2AMAPTMEN1RAB9A
SCHEMBL4343594 0.81 NPSR1 (0.43) KMT2AMEN1RAB9ASMN1; SMN2PPARA
SCHEMBL4341654 0.81 PPARG (0.48) LMNAKMT2AMAPTMEN1RAB9A
SCHEMBL4329788 0.81 POLB (0.51) LMNAMAPTRAB9ASMN1; SMN2PPARA

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 LMNA 3790/4885ALDH1A1 844/4885GAA 2303/4885

“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.