SCHEMBL4332390

SCHEMBL4332390

COc1cc(CC(OC(C)C)C(=O)O)ccc1NC(=O)OCc1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.47
ATM Q13315 2/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
NAAA Q02083 1/20 0.43
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
ACE P12821 1/20 0.41
ENPP2 Q13822 1/20 0.41

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
SCHEMBL4335253 0.87 MMP1 (0.40) NPC1RAB9APOLB
SCHEMBL4341131 0.85 RAB9A (0.57) KMT2AMAPTATMCYP3A4ALDH1A1
SCHEMBL4328684 0.84 LDHA (0.41) KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4342740 0.84 RAB9A (0.59) KMT2AMAPTATMCYP3A4ALDH1A1
SCHEMBL4482826 0.83 ALDH1A1 (0.41) KMT2AMAPTATMGAAALDH1A1
SCHEMBL4329951 0.83 PTGDR2 (0.39) KMT2AGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL4341704 0.83 GAA (0.49) KMT2AGAAALDH1A1POLBMEN1
SCHEMBL4335259 0.81 HTR1B (0.40) KMT2ATP53MEN1
SCHEMBL13810586 0.81 RAB9A (0.66) MAPTATMGAACYP3A4ALDH1A1
SCHEMBL4328226 0.81 MMP1 (0.44) KMT2AMAPTALDH1A1SMN1; SMN2TP53

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 KMT2A 2774/4885MAPT 4654/4885ATM 3249/4885

“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.