SCHEMBL9904150

SCHEMBL9904150

O=C1NCCCCc2c1oc1ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 5/20 1.00
ALDH1A1 P00352 4/20 0.92
HTT P42858 3/20 0.92
LMNA P02545 2/20 0.92
CDK5 Q00535 2/20 0.92
CDK5R1 Q15078 2/20 0.92
TP53 P04637 1/20 0.92
PRKD2 Q9BZL6 1/20 0.92
L3MBTL1 Q9Y468 1/20 0.92
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 3/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
KDM4E B2RXH2 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL31060198 0.96 PRKD1 (1.00) PRKD1ALDH1A1HTTLMNACDK5
SCHEMBL9904268 0.96 PRKD1 (1.00) PRKD1ALDH1A1HTTLMNACDK5
SCHEMBL9920687 0.90 PRKD1 (0.84) PRKD1ALDH1A1HTTLMNACDK5
SCHEMBL9904134 0.81 PRKD1 (0.67) PRKD1ALDH1A1HTTLMNACDK5
SCHEMBL15471995 0.80 ALDH1A1 (0.71) PRKD1ALDH1A1HTTLMNACDK5
SCHEMBL10401208 0.79 LMNA (0.66) PRKD1ALDH1A1HTTLMNACDK5
SCHEMBL10793789 0.78 ALDH1A1 (0.77) PRKD1ALDH1A1HTTLMNACDK5
SCHEMBL9920464 0.78 PRKD1 (1.00) PRKD1ALDH1A1HTTLMNACDK5
SCHEMBL10791718 0.77 CYP1A2 (0.77) PRKD1ALDH1A1HTTLMNACDK5
SCHEMBL9904264 0.77 PRKD1 (0.64) PRKD1ALDH1A1HTTLMNACDK5

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 8 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-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
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
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 PRKD1 2/4885ALDH1A1 4548/4885HTT 2479/4885

“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.