SCHEMBL722174

SCHEMBL722174

CC(C)(C)COOP(=O)(Cl)Oc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
BTN3A1 O00481 3/20 0.40
HPGD P15428 2/20 0.38
KCNA3 P22001 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
OGG1 O15527 1/20 0.38
HTR1B P28222 4/20 0.37
PGR P06401 1/20 0.37
GAA P10253 1/20 0.37
PTGS1 P23219 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR1D P28221 1/20 0.37
SLC6A4 P31645 1/20 0.36
HRH1 P35367 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
SCHEMBL1027272 0.81 HTT (0.50) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL29510856 0.74 HTT (0.50) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL719618 0.74 HTT (0.50) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL11792605 0.74 KCNA3 (0.46) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL11791487 0.74 LMNA (0.51) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL12250929 0.73 HTR1B (0.55) ALDH1A1KDM4EHSD17B10HPGDKCNA3
SCHEMBL17786776 0.72 ALDH1A1 (0.47) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL1027274 0.72 HTT (0.48) HTTALDH1A1KDM4EHSD17B10BTN3A1
SCHEMBL1274249 0.72 HTR1B (0.44) HTTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL723907 0.71 HTT (0.41) HTTALDH1A1KDM4EHSD17B10BTN3A1

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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-01 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-20120052046-A1 Phosphoramidate Derivatives of Guanosine Nucleoside Compunds for Treatment of Viral Infections PNP, SAMHD1, MTAP HTT 2589/4885ALDH1A1 4139/4885KDM4E 4140/4885

“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.