SCHEMBL19420729

SCHEMBL19420729

C[N+]1(CC2COC3(CCCCC3)O2)CCCC1

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 4/20 0.97
PABPC1 P11940 1/20 0.97
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
BRD4 O60885 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
RIN1 Q13671 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR1A P08908 4/20 0.37
ADRA1D P25100 3/20 0.37
ADRA1B P35368 3/20 0.37
ADRA1A P35348 2/20 0.36
APOBEC3A P31941 2/20 0.36
APOBEC3G Q9HC16 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL19420724 1.00 CTDSP1 (0.97) CTDSP1PABPC1GAATDP1ALDH1A1
SCHEMBL19420732 0.89 CTDSP1 (0.78) CTDSP1PABPC1GAATDP1ALDH1A1
SCHEMBL13381099 0.76 PABPC1 (0.59) CTDSP1PABPC1GAAALDH1A1TMEM97
SCHEMBL18885118 0.76 PABPC1 (0.59) CTDSP1PABPC1GAAALDH1A1TMEM97
SCHEMBL13381093 0.74 PABPC1 (0.56) CTDSP1PABPC1GAAALDH1A1TMEM97
SCHEMBL19420730 0.72 CTDSP1 (0.56) CTDSP1PABPC1TDP1APOBEC3AAPOBEC3G
SCHEMBL12943471 0.72 PABPC1 (0.54) CTDSP1PABPC1GAAALDH1A1TMEM97
SCHEMBL1487109 0.71 PABPC1 (0.53) CTDSP1PABPC1GAAALDH1A1TMEM97
SCHEMBL8325616 0.71 PABPC1 (0.53) CTDSP1PABPC1GAAALDH1A1TMEM97
SCHEMBL714617 0.71 PABPC1 (0.53) CTDSP1PABPC1GAAALDH1A1TMEM97

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 242/4885PABPC1 434/4885GAA 1926/4885

“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.