SCHEMBL4340787

SCHEMBL4340787

COc1cccc(COC(=O)Nc2ccc(OC)c(CC(OC(C)C)C(=O)O)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
JAK2 O60674 1/20 0.42
MTNR1B P49286 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
TACR1 P25103 1/20 0.42
MGLL Q99685 1/20 0.40
KMT2A Q03164 1/20 0.40
LRRK2 Q5S007 1/20 0.40
FPR2 P25090 1/20 0.40
USP2 O75604 1/20 0.40
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 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
SCHEMBL4342736 0.91 KCNB1 (0.44) NPC1RAB9ASMN1; SMN2MGLLKMT2A
SCHEMBL4343465 0.87 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2TACR1KMT2A
SCHEMBL13810706 0.86 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL13810699 0.86 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2KMT2AFPR2
SCHEMBL4335887 0.86 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2MGLLKMT2A
SCHEMBL4339623 0.84 SMN1; SMN2 (0.41) NPC1RAB9AMTNR1BSMN1; SMN2CA1
SCHEMBL4343697 0.84 GAA (0.44) NPC1RAB9ASMN1; SMN2CA1CA2
SCHEMBL4333142 0.83 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL4333437 0.83 FAAH (0.41) NPC1RAB9ASMN1; SMN2KMT2ATP53
SCHEMBL4337108 0.83 PPARA (0.45) NPC1RAB9ASMN1; SMN2KMT2AFPR2

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 NPC1 603/4885RAB9A 2956/4885JAK2 567/4885

“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.