SCHEMBL5207440

SCHEMBL5207440

CCC(CC)(c1ccc(NC(=O)CCc2oc(-c3ccc(OC)cc3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 5/20 0.47
MAPT P10636 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 1/20 0.46
KDR P35968 1/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
TP53 P04637 2/20 0.45
PTGES O14684 1/20 0.43
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
STAT3 P40763 1/20 0.40
KDM4E B2RXH2 2/20 0.40
CACNA1B Q00975 2/20 0.40
APBA1 Q02410 2/20 0.40

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
SCHEMBL5208383 0.91 SMO (0.43) CETPMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5207600 0.90 TP53 (0.44) CETPMAPTMAPK1MEN1KMT2A
SCHEMBL5213172 0.88 CETP (0.40) CETPMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5215005 0.88 PARP3 (0.39) CETPMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5207015 0.86 MAPT (0.41) CETPMAPTSMN1; SMN2MAPK1MEN1
SCHEMBL5211337 0.86 SMO (0.42) CETPMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL5211936 0.86 MAPT (0.42) CETPMAPTSMN1; SMN2MAPK1MEN1
SCHEMBL5208936 0.84 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL5210828 0.84 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL5207462 0.84 MAPT (0.41) CETPMAPTSMN1; SMN2MAPK1MEN1

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-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 CETP 3930/4885MAPT 3958/4885SMN1; SMN2 584/4885

“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.