SCHEMBL1879689

SCHEMBL1879689

CC(C)(C)/C(=C\c1ccc(C=O)cn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 6/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
TBXAS1 P24557 4/20 0.32
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
EPHX2 P34913 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
KCNJ1 P48048 1/20 0.31

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
SCHEMBL1879690 1.00 EGFR (0.34) EGFRKDM4EPOLBALDH1A1L3MBTL1
SCHEMBL732498 0.80 NFE2L2 (0.39) L3MBTL1SMN1; SMN2
SCHEMBL1580085 0.79 EGFR (0.49) EGFRKDM4EALDH1A1EPHX2NR1H4
SCHEMBL1580086 0.79 EGFR (0.49) EGFRKDM4EALDH1A1EPHX2NR1H4
SCHEMBL1704854 0.77 TBXAS1 (0.49) EGFRKDM4EALDH1A1L3MBTL1TBXAS1
SCHEMBL15755442 0.77 TBXAS1 (0.49) EGFRKDM4EALDH1A1L3MBTL1TBXAS1
SCHEMBL23722448 0.76 PADI4 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL1885751 0.74
SCHEMBL1768858 0.74 GABRP (0.42) KDM4EALDH1A1HDAC1HDAC6SMN1; SMN2
SCHEMBL1768859 0.74 GABRP (0.42) KDM4EALDH1A1HDAC1HDAC6SMN1; SMN2

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-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS DAC S.R.L. 2011-05-05 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-20110105474-A1 HETEROCYCLIC DERIVATIVES AS HDAC INHIBITORS HDAC3, HDAC1, HDAC5 EGFR 1410/4885KDM4E 142/4885POLB 650/4885

“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.