SCHEMBL4385019

SCHEMBL4385019

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ACLY P53396 1/20 0.40
GCGR P47871 1/20 0.40
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
MAOB P27338 2/20 0.38
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ERN1 O75460 1/20 0.37
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL4388187 0.93 HDAC4 (0.39) HDAC4HDAC8ACLYGCGRGRIN1
SCHEMBL4381848 0.90 BRD4 (0.41) TP53SMN1; SMN2CYP1A2HPGDCYP2C19
SCHEMBL4384445 0.88 HDAC4 (0.43) HDAC4HDAC8ACLYGCGRGRIN1
SCHEMBL4379468 0.87 ESR1 (0.44) GCGRCYP1A2CYP2C19
SCHEMBL4385900 0.86 CNR2 (0.40) ACLYCNR1CNR2HPGDALOX5
SCHEMBL4384914 0.86 ESR1 (0.38) HDAC4HDAC8SMN1; SMN2CNR1CNR2
SCHEMBL4387542 0.85 ESR1 (0.41) GCGRTP53SMN1; SMN2CNR2CYP1A2
SCHEMBL4379667 0.85 HDAC4 (0.43) HDAC4HDAC8ACLYGCGRGRIN1
SCHEMBL4388631 0.84 TSHR (0.46) HDAC4HDAC8ACLYGCGRGRIN1
SCHEMBL4384645 0.81 HDAC4 (0.43) HDAC4HDAC8ACLYGRIN1GRIN2A

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 HDAC4 985/4885HDAC8 94/4885ACLY 2383/4885

“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.