SCHEMBL20852016

SCHEMBL20852016

Oc1ccc(CNCCNCc2ccc(O)cc2O)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.58
CA12 O43570 5/20 0.57
CA2 P00918 5/20 0.57
CA9 Q16790 4/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MPO P05164 1/20 0.47
ALOX5 P09917 1/20 0.47
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 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
SCHEMBL3203919 0.84 MEN1 (0.47) TYRALOX5
SCHEMBL14521268 0.82 TYR (0.62) TYRTSHRALOX5
SCHEMBL19840870 0.81 CA12 (0.45) TYRCA12CA2CA9TSHR
SCHEMBL15013333 0.81 CA12 (0.45) TYRCA12CA2CA9TSHR
SCHEMBL6895047 0.80 TYR (0.60) TYRTSHRALOX5
SCHEMBL17715198 0.78 TYR (0.58) TYRTSHRALOX5
SCHEMBL5458032 0.78 TYR (0.58) TYRTSHRKDM4EALOX5
SCHEMBL16994916 0.77 TYR (0.47) TYRTSHRALOX5
SCHEMBL11510302 0.75 EGFR (0.72) TYRKDM4EHSD17B10
SCHEMBL1397158 0.74 TYR (1.00) TYRTSHRALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210315895-A1 BENZATHINE ANALOGS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-10-14 US disclosed
US-10369150-B2 Benzathine analogs University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2019-08-06 US disclosed
US-20190091222-A1 BENZATHINE ANALOGS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2019-03-28 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 (3 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-20190091222-A1 BENZATHINE ANALOGS HDAC10, CFTR, HBB TYR 1426/4885CA12 2627/4885CA2 2635/4885
US-10369150-B2 Benzathine analogs HDAC10, CFTR, HBB TYR 1426/4885CA12 2627/4885CA2 2635/4885
US-20210315895-A1 BENZATHINE ANALOGS HDAC10, CFTR, HBB TYR 1426/4885CA12 2627/4885CA2 2635/4885

“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.