SCHEMBL19420730

SCHEMBL19420730

CC(C)CC1(C)OCC(C[N+]2(C)CCCCC2)O1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 4/20 0.56
PABPC1 P11940 1/20 0.55
TDP1 Q9NUW8 1/20 0.38
APOBEC3A P31941 2/20 0.37
APOBEC3G Q9HC16 2/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.33

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
SCHEMBL19420731 0.73 CTDSP1 (0.98) CTDSP1PABPC1TDP1APOBEC3AAPOBEC3G
SCHEMBL28544297 0.73 MEN1 (0.31) KMT2A
SCHEMBL9598615 0.73 MEN1 (0.31) CTDSP1KMT2A
SCHEMBL9597774 0.73 MEN1 (0.31) CTDSP1KMT2A
SCHEMBL1411292 0.73 MEN1 (0.31) CTDSP1KMT2A
SCHEMBL19420724 0.72 CTDSP1 (0.97) CTDSP1PABPC1TDP1APOBEC3AAPOBEC3G
SCHEMBL19420729 0.72 CTDSP1 (0.97) CTDSP1PABPC1TDP1APOBEC3AAPOBEC3G
SCHEMBL8996657 0.72 GAA (0.42) KMT2A
SCHEMBL8743017 0.71 CA2 (0.36) CTDSP1KMT2A
SCHEMBL12708848 0.68

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 434/4885TDP1 230/4885

“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.