SCHEMBL15466407

SCHEMBL15466407

CC(=O)Oc1ccc2oc3c(c2c1)CCCN(C(C)=O)C3=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.56
KDM4E B2RXH2 12/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GAA P10253 5/20 0.51
TSHR P16473 5/20 0.51
NPSR1 Q6W5P4 4/20 0.51
RXFP1 Q9HBX9 1/20 0.44
GLA P06280 3/20 0.42
HPGD P15428 4/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
HTT P42858 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8298416 0.84 ALDH1A1 (0.72) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL15472029 0.84 NPC1 (0.43) ALDH1A1KDM4ESMN1; SMN2GAANPSR1
SCHEMBL9920465 0.77 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL9904172 0.73 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2TSHRRXFP1
SCHEMBL14541242 0.70 CA12 (0.58) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL9919755 0.70 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL9920906 0.68 ALDH1A1 (0.50) ALDH1A1KDM4ESMN1; SMN2TSHRRXFP1
SCHEMBL9904158 0.68 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2GAATSHR
SCHEMBL30539321 0.67 NOTUM (0.51) ALDH1A1SMN1; SMN2GLAMAPT
SCHEMBL11462931 0.67 KMT2A (0.60) ALDH1A1SMN1; SMN2TSHRRXFP1KMT2A

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
US-20140045821-A1 PROTEIN KINASE D INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2014-02-13 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-20140045821-A1 PROTEIN KINASE D INHIBITORS PRKCD, PRKD1, PRKD2 ALDH1A1 4548/4885KDM4E 1875/4885SMN1; SMN2 4309/4885

“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.