SCHEMBL4380219

SCHEMBL4380219

CCC(C(=O)OC)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PPARA Q07869 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
SGMS2 Q8NHU3 1/20 0.41
HPGD P15428 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
EPOR P19235 1/20 0.39
GAA P10253 1/20 0.39
MRGPRX4 Q96LA9 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
SCHEMBL4380283 0.85 LTA4H (0.42) LTA4HMEN1KMT2ALMNAL3MBTL1
SCHEMBL4381588 0.80 FFAR1 (0.42) LTA4HPPARALMNAL3MBTL1
SCHEMBL4385092 0.80 CAPN1 (0.31) LMNAL3MBTL1
SCHEMBL4383176 0.74 PSEN1 (0.44) MEN1KMT2APPARALMNAL3MBTL1
SCHEMBL6247718 0.72 MAOB (0.51) LTA4HMEN1KMT2AL3MBTL1NPC1
SCHEMBL13117262 0.72 CYP1A2 (0.53) MEN1KMT2ALMNAHDAC6CYP1A2
SCHEMBL6875862 0.71 LMNA (0.59) MEN1KMT2ALMNAL3MBTL1NPC1
SCHEMBL4379885 0.70 EGFR (0.40) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL6696628 0.70 MAOB (0.57) MEN1KMT2ALMNAL3MBTL1SMN1; SMN2
SCHEMBL16447278 0.70 HPGD (0.65) MEN1KMT2ALMNAL3MBTL1NPC1

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-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P LTA4H 4672/4885MEN1 4784/4885KMT2A 3994/4885

“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.