SCHEMBL4333076

SCHEMBL4333076

COc1ccc(NC(=O)OCCc2cc(CC(OC(C)C)C(=O)O)ccc2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
PPARA Q07869 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
FPR2 P25090 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
SAE1 Q9UBE0 1/20 0.40

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
SCHEMBL4336960 0.93 LMNA (0.44) LMNATP53SMN1; SMN2NPC1CYP1A2
SCHEMBL4334936 0.93 PPARA (0.49) LMNATP53SMN1; SMN2NPC1HPGD
SCHEMBL4341195 0.93 PPARA (0.43) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL4334226 0.92 NPSR1 (0.49) LMNATP53SMN1; SMN2NPC1RAB9A
SCHEMBL4329916 0.92 MMP1 (0.43) SMN1; SMN2KMT2AMEN1PPARANPSR1
SCHEMBL4332223 0.92 CNR1 (0.45) SMN1; SMN2KMT2APPARANPSR1FPR2
SCHEMBL4343670 0.90 TSHR (0.44) SMN1; SMN2NPC1CYP1A2CYP2D6CYP2C9
SCHEMBL4329663 0.90 LMNA (0.43) LMNATP53SMN1; SMN2NPC1RAB9A
SCHEMBL4335128 0.89 PPARA (0.54) PPARAPPARGPPARD
SCHEMBL4331833 0.88 LDHA (0.50) LMNATP53SMN1; SMN2KMT2AMEN1

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 3790/4885TP53 4574/4885SMN1; SMN2 3054/4885

“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.