SCHEMBL971062

SCHEMBL971062

COc1ccccc1[Mg]I

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA4 P22748 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ALDH1A1 P00352 6/20 0.44
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
ENPP2 Q13822 1/20 0.41
ORAI1 Q96D31 1/20 0.40
ORAI2 Q96SN7 1/20 0.40
ORAI3 Q9BRQ5 1/20 0.40

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
SCHEMBL809133 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL31145742 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL162625 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL29375470 0.76 CA1 (0.55) CA1CA2CA7CA9CA12
Bromide SCHEMBL3028221 0.74 CA1 (0.52) CA1CA2CA7CA9CA12
Bromide SCHEMBL29185181 0.74 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL4470315 0.74 IDO1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL11155594 0.73 CA1 (0.50) CA1CA2CA7CA9CA12
Hydrochloric Acid SCHEMBL15104848 0.73 CA1 (0.50) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL5308636 0.73 CA1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420865-B2 Phosphine compound, process for producing the same, and peroxide scavenger using the same FUKUOKA UNIVERSITY (JP) 2013-04-16 US disclosed
US-20110015440-A1 PHOSPHINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEROXIDE SCAVENGER USING THE SAME FUKUOKA UNIVERSITY (JP) 2011-01-20 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-20110015440-A1 PHOSPHINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND PEROXIDE SCAVENGER USING THE SAME FECH, PRDX5, MTCH2 CA1 1141/4885CA2 452/4885CA7 1485/4885

“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.