SCHEMBL4579061

SCHEMBL4579061

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)CCCCCCCCCCCO)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 11/20 0.44
KCNH2 Q12809 1/20 0.43
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALOX5 P09917 1/20 0.36
LTA4H P09960 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
SCHEMBL8734433 1.00 KIF11 (0.44) KIF11KCNH2KDM4EALOX15TDP1
SCHEMBL7747362 1.00 KIF11 (0.44) KIF11KCNH2KDM4EALOX15TDP1
SCHEMBL8403280 0.88 KIF11 (0.48) KIF11KCNH2LMNAHTTSMN1; SMN2
SCHEMBL5023008 0.88 KIF11 (0.56) KIF11KCNH2
SCHEMBL11290864 0.87 KDM4E (0.33) KIF11KDM4ELMNAKMT2AMEN1
SCHEMBL5065127 0.84 KIF11 (0.45) KIF11KCNH2LMNAHTTSMN1; SMN2
SCHEMBL3496480 0.82 KIF11 (0.54) KIF11KCNH2LMNAHTTSMN1; SMN2
SCHEMBL10586379 0.81 KIF11 (0.54) KIF11KCNH2SMN1; SMN2
SCHEMBL8734430 0.81 NR3C2 (0.37) KDM4ELMNAHTTSMN1; SMN2KMT2A
SCHEMBL8080069 0.79 KIF11 (0.51) KIF11KCNH2HTTKMT2AMEN1

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-20080182980-A1 Reactive Functional Groups THIRD WAVE TECHNOLOGIES, INC. (US) 2008-07-31 US disclosed
US-7297780-B2 Reactive functional groups for preparation of modified nucleic acid THIRD WAVE TECHNOLOGIES, INC. 2007-11-20 US disclosed
US-20040219576-A1 Reactive functional groups THIRD WAVE TECHNOLOGIES, INC. 2004-11-04 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 (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-20080182980-A1 Reactive Functional Groups POLRMT, RNGTT, APEX1 KIF11 2865/4885KCNH2 3861/4885KDM4E 2106/4885
US-20040219576-A1 Reactive functional groups POLRMT, RNGTT, APEX1 KIF11 2865/4885KCNH2 3861/4885KDM4E 2106/4885

“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.