SCHEMBL3609698

SCHEMBL3609698

CC1(C)Cc2c(O)ccc(C=O)c2O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PRKDC P78527 1/20 0.35
ST6GAL1 P15907 1/20 0.34
FUT6 P51993 1/20 0.34
FUT5 Q11128 1/20 0.34
ST3GAL1 Q11201 1/20 0.34
ST3GAL3 Q11203 1/20 0.34
ERN1 O75460 5/20 0.33
TYR P14679 2/20 0.33
TRIM24 O15164 2/20 0.33
TRIM33 Q9UPN9 2/20 0.33
IDO1 P14902 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 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
SCHEMBL4230579 0.82 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL6111224 0.81 ALDH1A1 (0.35) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL4241344 0.81 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL3598687 0.78 FFAR4 (0.40) ERN1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL17535618 0.74 EZH2 (0.32) PRKDCALDH1A1SMN1; SMN2
SCHEMBL3606171 0.73 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL8887766 0.72 IDO1 (0.32) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL5722906 0.72 FFAR4 (0.42) ERN1ALDH1A1KDM4EKMT2A
SCHEMBL8887535 0.71 ST6GAL1 (0.36) ST6GAL1FUT6FUT5ST3GAL1ST3GAL3
SCHEMBL273128 0.70 LMNA (0.48) ALDH1A1MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 PIK3CD 4051/4885PIK3CA 3653/4885PIK3CB 3926/4885

“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.