SCHEMBL4329917

SCHEMBL4329917

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)OCc1ccnc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 3/20 0.37
KDR P35968 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL4333264 0.85 RXFP1 (0.38) L3MBTL1MEN1KMT2APPARGPPARD
SCHEMBL4332216 0.83 CYSLTR1 (0.43) PPARGPPARDPPARA
SCHEMBL4334577 0.83 SCN9A (0.40) MEN1KMT2APPARGPPARDPPARA
SCHEMBL4336772 0.81 EPHX1 (0.42) DNMT1DNMT3APOLBADAMTS4MMP13
SCHEMBL4336778 0.81 EPHX1 (0.42) DNMT1DNMT3APOLBADAMTS4MMP13
SCHEMBL4336608 0.81 PPARG (0.42) L3MBTL1MEN1KMT2APPARGPPARD
SCHEMBL4335087 0.80 KMT2A (0.41) L3MBTL1POLBMEN1KMT2APPARG
SCHEMBL4347121 0.80 RECQL (0.38) MEN1KMT2APPARGPPARDPPARA
SCHEMBL4327205 0.80 ATM (0.42) MEN1KMT2APPARGPPARDPPARA
SCHEMBL4336600 0.80 PPARG (0.41) PPARGPPARDPPARASMN1; 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 DNMT1 3424/4885DNMT3A 2597/4885L3MBTL1 3856/4885

“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.