SCHEMBL7027749

SCHEMBL7027749

COc1ccc(/C=C/C(=O)c2c(OC)cc(CO)c(CN3CCOCC3)c2O)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
ALDH1A1 P00352 1/20 0.60
RECQL P46063 1/20 0.60
ABCB1 P08183 5/20 0.54
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KEAP1 Q14145 1/20 0.49
NFE2L2 Q16236 1/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
NPC1 O15118 1/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7028356 0.93 MAPT (0.53) KDM4EMAPTALDH1A1RECQLABCB1
SCHEMBL7026426 0.92 MAPT (0.52) KDM4EMAPTALDH1A1RECQLABCB1
SCHEMBL7030422 0.92 ABCB1 (0.55) KDM4EMAPTALDH1A1RECQLABCB1
SCHEMBL7028459 0.91 ABCB1 (0.56) KDM4EMAPTALDH1A1RECQLABCB1
SCHEMBL742054 0.91 ABCB1 (0.63) KDM4EMAPTALDH1A1RECQLABCB1
SCHEMBL7027864 0.90 ABCB1 (0.56) KDM4EMAPTALDH1A1RECQLABCB1
SCHEMBL20858999 0.89 KDM4E (0.59) KDM4EMAPTALDH1A1RECQLABCB1
SCHEMBL7029785 0.88 KDM4E (0.55) KDM4EMAPTALDH1A1RECQLABCB1
SCHEMBL7029762 0.87 ABCB1 (0.55) KDM4EMAPTALDH1A1RECQLABCB1
SCHEMBL7027820 0.86 ABCB1 (0.56) KDM4EMAPTALDH1A1RECQLABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER SHANDONG UNIVERSITY (CN) 2012-05-17 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-20120121692-A1 COMPOUNDS AND COMPOSITIONS COMPRISING CDK INHIBITORS AND METHODS FOR TREATING CANCER CDK6, CDK5, CDK4 KDM4E 843/4885MAPT 3525/4885ALDH1A1 2643/4885

“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.