SCHEMBL3418800

SCHEMBL3418800

COc1ccc(-c2ccc(OC)c(C(=O)O)c2)cc1CNC(=O)C(=O)c1cc(-c2ccccc2Cl)on1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 10/20 0.45
ALDH1A1 P00352 9/20 0.45
HSD17B10 Q99714 7/20 0.45
KDM4E B2RXH2 6/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 11/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL13433242 0.91 HPGD (0.56) KMT2AMEN1HPGDALDH1A1HSD17B10
SCHEMBL3417177 0.90 PPARG (0.52) KMT2AMEN1HPGDALDH1A1HSD17B10
SCHEMBL13433238 0.81 PPARG (0.58) KMT2AMEN1HPGDALDH1A1HSD17B10
SCHEMBL13460772 0.78 HPGD (0.54) KMT2AMEN1HPGDALDH1A1HSD17B10
SCHEMBL13461037 0.77 HPGD (0.52) KMT2AMEN1HPGDALDH1A1HSD17B10
SCHEMBL6865441 0.75 PPARA (0.45) KMT2AHPGDALDH1A1KDM4ENPC1
SCHEMBL27838174 0.72 DHODH (0.53) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL6503265 0.70 HPGD (0.56) KMT2AMEN1HPGDALDH1A1HSD17B10
SCHEMBL3416041 0.70 LMNA (0.50) HPGDKDM4EL3MBTL1LMNACYP1A2
SCHEMBL5037078 0.69 HPGD (0.51) KMT2AMEN1HPGDALDH1A1HSD17B10

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-7687664-B2 Carboxylic acid derivative, a salt thereof or an ester of them, and medicament comprising it EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-30 US disclosed
US-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-10-28 US disclosed
EP-1394147-A1 CARBOXYLIC ACID DERIVATIVE AND MEDICINE COMPRISING SALT OR ESTER OF THE SAME Eisai Co., Ltd. (JP) 2004-03-03 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-20040214888-A1 Carboxylic acid derivative and medicine comprising salt or ester of the same GPR119, NR3C1, INSR KMT2A 2276/4885MEN1 3653/4885HPGD 2617/4885

“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.