SCHEMBL4877004

SCHEMBL4877004

COc1ccccc1[PH](=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA12 O43570 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA4 P22748 1/20 0.52
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ADRA2B P18089 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ENPP2 Q13822 1/20 0.40
KMT2A Q03164 1/20 0.40
NQO2 P16083 3/20 0.39
CHRM2 P08172 1/20 0.39

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
SCHEMBL2153848 0.84 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL28309134 0.82 CA1 (0.43) CA1CA2CA7CA9CA12
SCHEMBL25798205 0.82 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL5605615 0.80 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL14246480 0.80 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL11647772 0.79 ALDH1A1 (0.47) ALDH1A1TDP1TSHRMAPK1L3MBTL1
SCHEMBL780148 0.77 TSHR (0.39) CA1CA2CA7CA9CA12
SCHEMBL30679175 0.77 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL1496249 0.77 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL11653179 0.76 ALDH1A1 (0.46) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080091040-A1 Optically active alkenylphosphinic acid ester and process for producing the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2008-04-17 US disclosed
US-20040092752-A1 Optically active alkenylphosphinic acid esters and process for producing the same JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-05-13 US disclosed
EP-1375505-A1 OPTICALLY ACTIVE ALKENYLPHOSPHINIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME Japan Science and Technology Corporation (JP) 2004-01-02 EP 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 (2 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-20040092752-A1 Optically active alkenylphosphinic acid esters and process for producing the same APEH, ACOX1, PHOSPHO1 CA1 196/4885CA2 33/4885CA7 80/4885
US-20080091040-A1 Optically active alkenylphosphinic acid ester and process for producing the same PHOSPHO1, APEH, ACP3 CA1 223/4885CA2 73/4885CA7 54/4885

“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.