SCHEMBL20202727

SCHEMBL20202727

NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@@H](O)C3O)C(O)[C@@H]2O)C=CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 1.00
LMNA P02545 1/20 0.75
PMP22 Q01453 1/20 0.75
TP53 P04637 1/20 0.75
TSHR P16473 1/20 0.75
ALOX12 P18054 1/20 0.75
P2RY1 P47900 6/20 0.73
P2RY2 P41231 2/20 0.73
P2RX1 P51575 2/20 0.73
P2RX3 P56373 2/20 0.73
ALDH1A1 P00352 2/20 0.73
SRC P12931 1/20 0.73
P2RX4 Q99571 1/20 0.73
P2RX2 Q9UBL9 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
LDHA P00338 1/20 0.72
LDHB P07195 1/20 0.72
MACROD2 A1Z1Q3 1/20 0.69
SIRT6 Q8N6T7 1/20 0.69
MACROD1 Q9BQ69 1/20 0.69

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
SCHEMBL25792100 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL8188 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29350404 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL1276381 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL8003782 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29740660 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29548827 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL29351291 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL8187 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR
SCHEMBL27370819 1.00 ADH1A (1.00) ADH1ALMNAPMP22TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730055-B2 Dopant, charge transfer salt and organic electronic device CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2023-08-15 US disclosed
US-20180147225-A1 USE OF NAD PRECURSORS FOR BREAST ENHANCEMENT UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2018-05-31 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 (2 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-11730055-B2 Dopant, charge transfer salt and organic electronic device CHRM1, SLC6A3, DRD1 ADH1A 1249/4885LMNA 4005/4885PMP22 2797/4885
US-20180147225-A1 USE OF NAD PRECURSORS FOR BREAST ENHANCEMENT NQO1, NNT, NAMPT ADH1A 761/4885LMNA 2013/4885PMP22 2794/4885

“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.