SCHEMBL4338001

SCHEMBL4338001

CCOC(=O)C(OC(C)C)C(OS(C)(=O)=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX5 P09917 2/20 0.45
PTGES O14684 1/20 0.41
MAOB P27338 1/20 0.41
NR4A2 P43354 1/20 0.40
MEN1 O00255 1/20 0.40
BCHE P06276 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB3 P13945 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
PPARG P37231 1/20 0.39
FFAR1 O14842 1/20 0.39
ACACB O00763 1/20 0.39

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
SCHEMBL4331809 0.83 LMNA (0.51) LMNAL3MBTL1KMT2ASMN1; SMN2ALOX5
SCHEMBL4335079 0.78 PPARA (0.39) KMT2ASMN1; SMN2ALOX5PTGESFFAR1
SCHEMBL4335077 0.78 PPARA (0.39) KMT2ASMN1; SMN2ALOX5PTGESFFAR1
SCHEMBL6655503 0.78 PPARA (0.39) KMT2ASMN1; SMN2ALOX5PTGESFFAR1
SCHEMBL4335081 0.78 PPARA (0.39) KMT2ASMN1; SMN2ALOX5PTGESFFAR1
SCHEMBL5379536 0.76 KMT2A (0.53) LMNAL3MBTL1KMT2ASMN1; SMN2ALOX5
SCHEMBL3485036 0.74 KMT2A (0.56) LMNAL3MBTL1KMT2ASMN1; SMN2ALOX5
SCHEMBL16797634 0.73 KMT2A (0.55) LMNAL3MBTL1KMT2ASMN1; SMN2ALOX5
SCHEMBL28165602 0.71 L3MBTL1 (0.80) LMNAL3MBTL1KMT2ASMN1; SMN2ALOX5
SCHEMBL4951331 0.71 KMT2A (0.53) LMNAL3MBTL1KMT2ASMN1; SMN2ALOX5

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-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 3790/4885L3MBTL1 3856/4885KMT2A 2774/4885

“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.