SCHEMBL4380201

SCHEMBL4380201

CCc1c(CC2O[C@H](COC)[C@@H](COC)O2)cc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAOB P27338 3/20 0.36
ABCB1 P08183 2/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
ACHE P22303 1/20 0.34
MAPK14 Q16539 1/20 0.34
MTNR1A P48039 1/20 0.34
F2RL3 Q96RI0 1/20 0.34
PKM P14618 1/20 0.34
NPC1 O15118 1/20 0.34
MAOA P21397 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4386754 0.84 PIN1 (0.37) PIN1L3MBTL1MAOBABCB1HTR1A
SCHEMBL4379859 0.84 PIN1 (0.37) PIN1L3MBTL1MAOBABCB1HTR1A
SCHEMBL4382337 0.82 MEN1 (0.34) MAOBABCB1MAPK14RAB9A
SCHEMBL4384172 0.75 ESR1 (0.35) MAOB
SCHEMBL4380772 0.73 CYP4F2 (0.51) PIN1L3MBTL1MAOBABCB1HTR1A
SCHEMBL4379037 0.72 MAOB (0.43) PIN1L3MBTL1MAOBHTR1AMAPK14
SCHEMBL4381103 0.71 MTNR1A (0.45) L3MBTL1MAOBMTNR1ANPC1RAB9A
SCHEMBL2090391 0.71 MAOB (0.53) PIN1L3MBTL1MAOBABCB1HTR1A
SCHEMBL4380267 0.71 TDP1 (0.37) PIN1L3MBTL1MAOBABCB1HTR1A
SCHEMBL4562584 0.69 MAPK14 (0.34) L3MBTL1HTR1ADRD2MAPK14TDP1

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 PIN1 1602/4885L3MBTL1 3218/4885MAOB 3920/4885

“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.