SCHEMBL4328008

SCHEMBL4328008

CCOc1ccc(NC(=O)OCc2cccc(CC(OC(C)C)C(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 9/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
HPGD P15428 2/20 0.46
KMT2A Q03164 6/20 0.45
MEN1 O00255 4/20 0.45
MITF O75030 1/20 0.45
PAX8 Q06710 1/20 0.45
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
KLKB1 P03952 1/20 0.43
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43
APOBEC3A P31941 1/20 0.43

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
SCHEMBL4339204 0.91 MGLL (0.47) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4328737 0.90 FPR2 (0.48) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4340665 0.90 PPARA (0.52) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4327318 0.90 PPARA (0.52) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4328906 0.88 MGLL (0.52) MAPTKMT2AMEN1MAPK1POLB
SCHEMBL4339291 0.88 MEN1 (0.50) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4348594 0.87 MEN1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL4339249 0.86 SMN1; SMN2 (0.46) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL13810562 0.85 PPARG (0.42) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4327970 0.85 MAPT (0.46) MAPTNPC1RAB9AKMT2AMEN1

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 TP53 4574/4885MAPT 4654/4885NPC1 603/4885

“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.