SCHEMBL4380772

SCHEMBL4380772

CCc1c(CCO)cc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
LTA4H P09960 1/20 0.44
EPHX2 P34913 1/20 0.44
PIN1 Q13526 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ABCB1 P08183 3/20 0.41
HTR1A P08908 2/20 0.41
DRD2 P14416 2/20 0.41
MTNR1A P48039 3/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL4379037 0.80 MAOB (0.43) PIN1MEN1KMT2AHTR1ALMNA
SCHEMBL4381103 0.80 MTNR1A (0.45) MEN1KMT2AMTNR1AHDAC6MAOB
SCHEMBL4380021 0.80 CYP4F2 (0.52) CYP4F2CYP4A11LTA4HEPHX2PIN1
SCHEMBL8000947 0.79 CYP4F2 (0.62) CYP4F2CYP4A11LTA4HEPHX2ABCB1
SCHEMBL4380267 0.77 TDP1 (0.37) PIN1MEN1KMT2AABCB1HTR1A
SCHEMBL4400180 0.77 MEN1 (0.54) MEN1KMT2AMAOBL3MBTL1
SCHEMBL13643153 0.75 CYP4F2 (0.57) CYP4F2CYP4A11LTA4HEPHX2LMNA
SCHEMBL1842660 0.75 MEN1 (0.55) MEN1KMT2AMTNR1AMAOB
SCHEMBL4382835 0.75 CYP4F2 (0.43) CYP4F2CYP4A11LTA4HEPHX2HTR1A
SCHEMBL11561474 0.73 MAOB (0.53) MEN1KMT2ALMNACYP1A2PTGS1

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 CYP4F2 2547/4885CYP4A11 1072/4885LTA4H 4672/4885

“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.