SCHEMBL9904117

SCHEMBL9904117

CC(C)(C)[Si](C)(C)Oc1ccc2oc3c(c2c1)CCCNC3=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
PRKD1 Q15139 3/20 0.59
ALDH1A1 P00352 3/20 0.59
HTT P42858 2/20 0.59
TP53 P04637 2/20 0.59
CDK5 Q00535 1/20 0.59
CDK5R1 Q15078 1/20 0.59
PRKD2 Q9BZL6 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 4/20 0.44
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CDK1 P06493 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
PARP1 P09874 3/20 0.36
KDR P35968 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
SCHEMBL9904020 0.85 PRKD1 (0.58) LMNAPRKD1ALDH1A1HTTTP53
SCHEMBL9904237 0.83 ALDH1A1 (0.67) LMNAPRKD1ALDH1A1HTTTP53
SCHEMBL14514724 0.81 ALDH1A1 (0.50) ALDH1A1CA12CA1CA9MAPT
SCHEMBL14514741 0.81 MEN1 (0.52) ALDH1A1CA12CA1CA9MAPT
SCHEMBL9904134 0.80 PRKD1 (0.67) LMNAPRKD1ALDH1A1HTTTP53
SCHEMBL9920465 0.80 ALDH1A1 (0.65) LMNAPRKD1ALDH1A1HTTTP53
SCHEMBL15471995 0.77 ALDH1A1 (0.71) LMNAPRKD1ALDH1A1HTTTP53
SCHEMBL9920606 0.76 ALDH1A1 (0.55) LMNAPRKD1ALDH1A1HTTTP53
SCHEMBL9904242 0.76 PRKD1 (0.59) LMNAPRKD1ALDH1A1HTTTP53
SCHEMBL9904268 0.74 PRKD1 (1.00) LMNAPRKD1ALDH1A1HTTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-9840515-B2 Protein kinase D inhibitors University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2017-12-12 US disclosed
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 US disclosed
WO-2012078859-A2 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-06-14 WO 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-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 LMNA 3108/4885PRKD1 2/4885ALDH1A1 4548/4885

“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.