SCHEMBL12420758

SCHEMBL12420758

O=C(O)c1cccc(OCC2CCCCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.60
XDH P47989 1/20 0.47
PTGER1 P34995 4/20 0.46
FFAR4 Q5NUL3 3/20 0.45
MAPK8 P45983 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ACMSD Q8TDX5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CDK2 P24941 2/20 0.44
CCNA2 P20248 1/20 0.44
CCNA1 P78396 1/20 0.44
PARP15 Q460N3 2/20 0.43
PARP10 Q53GL7 2/20 0.43
MCHR1 Q99705 1/20 0.42
TTR P02766 1/20 0.42
CDK1 P06493 1/20 0.41

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
SCHEMBL12478630 0.93 CNR2 (0.61) CNR2XDHPTGER1FFAR4KDM4E
SCHEMBL15134602 0.86 CNR2 (0.58) CNR2PTGER1FFAR4CDK2CCNA2
SCHEMBL12420759 0.86 CNR2 (0.46) CNR2XDHPTGER1KDM4EALOX15
SCHEMBL15129078 0.85 CNR2 (0.60) CNR2PTGER1FFAR4TDP1CDK2
SCHEMBL15128998 0.85 CNR2 (0.60) CNR2PTGER1FFAR4TDP1CDK2
SCHEMBL15129404 0.83 CNR2 (0.58) CNR2PTGER1FFAR4CDK2CCNA2
SCHEMBL15129281 0.82 CNR2 (0.54) CNR2XDHPTGER1FFAR4CDK2
SCHEMBL15134605 0.82 CNR2 (0.54) CNR2XDHPTGER1FFAR4CDK2
SCHEMBL15129249 0.80 CNR2 (0.52) CNR2XDHPTGER1FFAR4CDK2
SCHEMBL18128987 0.78 KDM4E (0.48) CNR2FFAR4KDM4EALOX15TSHR

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-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 US disclosed
US-20110172230-A1 UREA COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-07-14 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-20110172230-A1 UREA COMPOUND OR SALT THEREOF FAAH, FAAH2, UTS2R CNR2 134/4885XDH 419/4885PTGER1 505/4885

“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.