SCHEMBL19420726

SCHEMBL19420726

C[N+]1(CC2COC(c3ccco3)O2)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 4/20 1.00
APOBEC3A P31941 4/20 1.00
APOBEC3G Q9HC16 4/20 1.00
POLB P06746 1/20 1.00
KMT2A Q03164 1/20 0.53
CHRM5 P08912 7/20 0.40
CHRM1 P11229 7/20 0.40
CHRM3 P20309 7/20 0.40
CHRM2 P08172 6/20 0.40
CHRM4 P08173 6/20 0.40
PABPC1 P11940 2/20 0.38
MAPT P10636 1/20 0.36
EIF4H Q15056 1/20 0.34
TBXAS1 P24557 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL13381127 0.77 POLB (0.62) CTDSP1APOBEC3AAPOBEC3GPOLBKMT2A
Iodide SCHEMBL11127723 0.76 APOBEC3A (0.61) CTDSP1APOBEC3AAPOBEC3GPOLBKMT2A
SCHEMBL13381220 0.75 POLB (0.59) CTDSP1APOBEC3AAPOBEC3GPOLBKMT2A
SCHEMBL10000234 0.74 POLB (0.58) CTDSP1APOBEC3AAPOBEC3GPOLBKMT2A
SCHEMBL11457323 0.74 POLB (0.58) CTDSP1APOBEC3AAPOBEC3GPOLBKMT2A
SCHEMBL11075476 0.72 POLB (0.56) CTDSP1APOBEC3AAPOBEC3GPOLBCHRM5
SCHEMBL11075475 0.72 POLB (0.56) CTDSP1APOBEC3AAPOBEC3GPOLBCHRM5
Hydrochloric Acid SCHEMBL9635896 0.69 CTDSP1 (0.51) CTDSP1APOBEC3AAPOBEC3GPOLBKMT2A
SCHEMBL11552985 0.69 CTDSP1 (0.50) CTDSP1APOBEC3AAPOBEC3GPOLBKMT2A
SCHEMBL13380958 0.69 POLB (0.51) CTDSP1APOBEC3AAPOBEC3GPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283402-A1 Poly(ADP-Ribose) Polymerase 1 Inhibitors Structurally Unrelated to NAD INSTITUTE FOR CANCER RESEARCH D/B/A THE RESEARCH INSTITUTE OF FOX CHASE CANCER CENTER 2017-10-05 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 (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-20170283402-A1 Poly(ADP-Ribose) Polymerase 1 Inhibitors Structurally Unrelated to NAD PARP1, PARP11, PARP14 CTDSP1 242/4885APOBEC3A 1576/4885APOBEC3G 1563/4885

“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.