SCHEMBL17239674

SCHEMBL17239674

COc1ccc(P(C(C)(C)C)C(C)(C)C)cc1.COc1ccc(P(C(C)(C)C)C(C)(C)C)cc1.Cl[Pd]Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA14 Q9ULX7 1/20 0.44
TDP1 Q9NUW8 4/20 0.38
MAPK1 P28482 4/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
ACHE P22303 1/20 0.38
HPGD P15428 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 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
SCHEMBL20591126 0.94 CA1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL2551359 0.92 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL29670144 0.90 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL20591127 0.85 CA1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL17239660 0.80 ALDH1A1 (0.44) CA1CA2ALDH1A1CYP3A4AHR
SCHEMBL17239664 0.79 ALDH1A1 (0.37) ALDH1A1L3MBTL1TSHRMAPTLMNA
SCHEMBL28770027 0.79 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL10411935 0.79 CA1 (0.52) CA1CA2CA7CA9CA12
SCHEMBL17239684 0.77 TSHR (0.37) TDP1TSHRACHE
SCHEMBL17239672 0.75 ACHE (0.33) ACHE

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.