SCHEMBL19009083

SCHEMBL19009083

CC(C)c1cccc(N(C)C(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
CA2 P00918 2/20 0.41
MDM4 O15151 1/20 0.41
CA1 P00915 1/20 0.41
CYP3A4 P08684 1/20 0.41
TYR P14679 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CA5A P35218 1/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 1/20 0.41
CA9 Q16790 1/20 0.41
HDAC2 Q92769 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
SCHEMBL19618140 0.83 ALDH1A1 (0.44) KDM4EALDH1A1HDAC4HDAC8SMN1; SMN2
SCHEMBL4734623 0.83 ALDH1A1 (0.50) KDM4EALDH1A1HDAC4HDAC8SMN1; SMN2
SCHEMBL12774529 0.78 KDM4C (0.42) KDM4EALDH1A1HDAC4HDAC8SMN1; SMN2
SCHEMBL22219838 0.78 ALDH1A1 (0.44) KDM4EALDH1A1HDAC4HDAC8SMN1; SMN2
SCHEMBL20312833 0.78 HDAC4 (0.42) KDM4EALDH1A1HDAC4HDAC8SMN1; SMN2
SCHEMBL17083356 0.77 KDM4E (0.43) KDM4EALDH1A1HDAC4HDAC8SMN1; SMN2
SCHEMBL10169213 0.77 ALDH1A1 (0.48) KDM4EALDH1A1HDAC4HDAC8SMN1; SMN2
SCHEMBL22087923 0.77 KDM4E (0.43) KDM4EALDH1A1HDAC4HDAC8SMN1; SMN2
SCHEMBL15275549 0.77 ACHE (0.46) ALDH1A1TP53MAPTCYP3A4HPGD
SCHEMBL10227137 0.77 ALDH1A1 (0.47) KDM4EALDH1A1HDAC4HDAC8SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208000-B2 Eis inhibitors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2019-02-19 US disclosed
US-20170174639-A1 EIS INHIBITORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2017-06-22 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-20170174639-A1 EIS INHIBITORS ABCC1, ATP5ME, ABCG2 KDM4E 3294/4885ALDH1A1 819/4885HDAC4 1207/4885
US-10208000-B2 Eis inhibitors ABCC1, ATP5ME, ABCG2 KDM4E 3294/4885ALDH1A1 819/4885HDAC4 1207/4885

“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.