SCHEMBL4385900

SCHEMBL4385900

CCc1c(O)cc(O)c(-c2cccc(C)c2)c1CCOC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.40
CNR1 P21554 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACLY P53396 2/20 0.37
HEXA P06865 1/20 0.36
HEXB P07686 1/20 0.36
ALOX5 P09917 2/20 0.35
LIPE Q05469 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
PTGES O14684 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL4382873 0.93 CNR2 (0.37) CNR2CNR1L3MBTL1ACLYHEXA
SCHEMBL4379468 0.88 ESR1 (0.44) ESR1ESR2
SCHEMBL4384914 0.87 ESR1 (0.38) CNR2CNR1ALOX5ESR1ESR2
SCHEMBL4387542 0.86 ESR1 (0.41) CNR2ESR1ESR2
SCHEMBL4385019 0.86 HDAC4 (0.43) CNR2CNR1ACLYALOX5HPGD
SCHEMBL4381848 0.84 BRD4 (0.41) ALDH1A1HPGDMEN1KMT2A
SCHEMBL4381380 0.82 ERN1 (0.44)
SCHEMBL4390008 0.81 CNR2 (0.43) CNR2CNR1L3MBTL1ACLYALOX5
SCHEMBL4388525 0.81 ESR1 (0.41) ESR1ESR2
SCHEMBL4388187 0.79 HDAC4 (0.39) CNR2CNR1ACLYALOX5ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181948-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-16 US disclosed
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
EP-1847530-A1 DIAMINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-10-24 EP 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 (2 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-20090181948-A1 DIAMINE DERIVATIVE ARG1, PRMT5, PRMT1 CNR2 2994/4885CNR1 2461/4885L3MBTL1 2665/4885
US-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P CNR2 1898/4885CNR1 614/4885L3MBTL1 3218/4885

“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.