SCHEMBL15908415

SCHEMBL15908415

CSc1ccc(OP=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP1B1 Q16678 3/20 0.44
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.37
JAK2 O60674 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A4 P31645 7/20 0.37
PLK1 P53350 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL14296483 0.80 INPPL1 (0.32)
SCHEMBL18038657 0.77 INPPL1 (0.31)
SCHEMBL16892399 0.74 CA12 (0.47) CYP1A2ALDH1A1LMNAMAPTNPSR1
SCHEMBL27810659 0.73 CA1 (0.58) ALDH1A1MAPTNPSR1GAA
SCHEMBL183340 0.73 CYP1A1 (0.44) CYP1A1CYP1A2CYP1B1ALDH1A1LMNA
SCHEMBL2774995 0.72 CYP1A1 (0.52) CYP1A1CYP1A2CYP1B1ALDH1A1TSHR
SCHEMBL25187769 0.71 ACHE (0.46) ALDH1A1LMNATSHRMAPTHTT
SCHEMBL28996516 0.71 ACHE (0.46) ALDH1A1LMNATSHRMAPTHTT
SCHEMBL29036728 0.71 ACHE (0.46) ALDH1A1LMNATSHRMAPTHTT
SCHEMBL83839 0.71 ALDH1A1 (0.58) CYP1A1CYP1A2CYP1B1ALDH1A1SLC6A4

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-20140212382-A1 PURINE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS EMORY UNIVERSITY (US) 2014-07-31 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 (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-20140212382-A1 PURINE MONOPHOSPHATE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS PNP, MTAP, NT5C3B CYP1A1 690/4885CYP1A2 250/4885CYP1B1 409/4885

“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.