SCHEMBL10131982

SCHEMBL10131982

CC(=O)Cc1ccc(C2=CCC3(CC2)OCCO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 3/20 0.41
IKBKE Q14164 1/20 0.41
SUV39H2 Q9H5I1 2/20 0.36
ALDH1A1 P00352 5/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BTK Q06187 3/20 0.32
TSHR P16473 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
CYP2C19 P33261 1/20 0.30
GRIA2 P42262 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL613153 0.85 LIPE (0.40) TBK1IKBKESUV39H2ALDH1A1MEN1
SCHEMBL17471333 0.82 TBK1 (0.40) TBK1IKBKESUV39H2ALDH1A1BTK
SCHEMBL14403246 0.82 TBK1 (0.43) TBK1IKBKESUV39H2
SCHEMBL8453606 0.80 TBK1 (0.36) TBK1IKBKESUV39H2ALDH1A1MEN1
SCHEMBL21171825 0.79 IKBKE (0.38) TBK1IKBKESUV39H2
SCHEMBL743512 0.78 IKBKE (0.48) TBK1IKBKESUV39H2BTKTSHR
SCHEMBL14220461 0.78 RARB (0.37) TBK1IKBKESUV39H2ALDH1A1MAPT
SCHEMBL14117573 0.77 TBK1 (0.39) TBK1IKBKESUV39H2ALDH1A1MAPT
SCHEMBL2945528 0.77 IKBKE (0.41) TBK1IKBKESUV39H2ALDH1A1POLB
SCHEMBL1780682 0.76 CA12 (0.43) TBK1IKBKEALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US 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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 TBK1 3247/4885IKBKE 1146/4885SUV39H2 3413/4885

“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.