SCHEMBL9920906

SCHEMBL9920906

COc1ccc2oc3c(c2c1)CCN(C)C3=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 7/20 0.50
HPGD P15428 7/20 0.50
MAPT P10636 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 5/20 0.46
CYP3A4 P08684 2/20 0.45
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAOA P21397 1/20 0.45

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
SCHEMBL9904172 0.92 KDM4E (0.48) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL9919755 0.91 KDM4E (0.47) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL26017357 0.75 DRD1 (0.49) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL9920606 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL9904158 0.74 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL9904237 0.73 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL9904134 0.72 PRKD1 (0.67) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL18045173 0.71 ALDH1A1 (0.77) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL14514719 0.71 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL26838626 0.69 PRKDC (0.42) 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.