SCHEMBL17239676

SCHEMBL17239676

COc1ccccc1P(C(C)(C)C)C(C)(C)C.COc1ccccc1P(C(C)(C)C)C(C)(C)C.Cl[Pd]Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA12 O43570 1/20 0.43
CA4 P22748 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 5/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 1/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HTT P42858 1/20 0.35
ENPP2 Q13822 1/20 0.34
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 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
SCHEMBL20591129 0.95 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL2544530 0.92 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL29589374 0.92 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL29670206 0.90 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL20591130 0.86 CA1 (0.40) CA1CA2CA7CA9CA12
SCHEMBL7787015 0.80 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL31563616 0.80 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL10792397 0.80 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL29903925 0.78 CA1 (0.35) CA1CA2CA7CA9CA12
SCHEMBL17749174 0.78 CA1 (0.35) 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
EP-2871198-B1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-06-14 EP disclosed
US-9453103-B2 Method for producing aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-09-27 US disclosed
US-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-11-12 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-20150322199-A1 METHOD FOR PRODUCING AROMATIC COMPOUND PAH, DDC, DDT CA1 1065/4885CA2 1064/4885CA7 319/4885

“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.