SCHEMBL4335538

SCHEMBL4335538

CC(C)OC(Cc1ccccc1COC(=O)Nc1ccc(F)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MGLL Q99685 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KLK7 P49862 3/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
OPRK1 P41145 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 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
SCHEMBL4329791 0.92 LMNA (0.44) KMT2AMEN1SMN1; SMN2MGLLALDH1A1
SCHEMBL4341658 0.90 MAPT (0.48) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4327192 0.89 CYP1A2 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4334182 0.88 MGLL (0.45) KMT2AMEN1SMN1; SMN2L3MBTL1MGLL
SCHEMBL4335160 0.88 LMNA (0.48) SMN1; SMN2L3MBTL1ALDH1A1CYP1A2CYP2D6
SCHEMBL6727481 0.87 MAPT (0.47) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4335130 0.86 FPR2 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4341925 0.86 ALDH1A1 (0.40) KMT2AMEN1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4328015 0.86 NPC1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4334586 0.85 PKM (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AHTT

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 KMT2A 2774/4885MEN1 4091/4885SMN1; 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.