SCHEMBL9920606

SCHEMBL9920606

COc1ccc2oc3c(c2c1)CCNC3=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 6/20 0.55
HPGD P15428 5/20 0.55
MAPT P10636 5/20 0.55
PRKD1 Q15139 2/20 0.55
LMNA P02545 2/20 0.55
TP53 P04637 2/20 0.55
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
HTT P42858 1/20 0.55
CDK5 Q00535 1/20 0.55
CDK5R1 Q15078 1/20 0.55
PRKD2 Q9BZL6 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL9904237 0.92 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDMAPTPRKD1
SCHEMBL9904134 0.91 PRKD1 (0.67) ALDH1A1KDM4EHPGDMAPTPRKD1
SCHEMBL15465758 0.89 GABRA1 (0.56) ALDH1A1KDM4EHPGDMAPTPRKD1
SCHEMBL6313003 0.82 CDK1 (0.53) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL9920687 0.79 PRKD1 (0.84) ALDH1A1KDM4EHPGDMAPTPRKD1
SCHEMBL9920465 0.78 ALDH1A1 (0.65) ALDH1A1KDM4EHPGDMAPTPRKD1
SCHEMBL9904117 0.76 LMNA (0.59) ALDH1A1MAPTPRKD1LMNATP53
SCHEMBL6313376 0.75 PIM1 (0.52)
SCHEMBL9920906 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL14514719 0.74 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTNPC1

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 5 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
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 ALDH1A1 4548/4885KDM4E 1875/4885HPGD 1978/4885

“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.