SCHEMBL2952986

SCHEMBL2952986

COC(=O)c1ccc(O)cc1-c1cc(O)ccc1C(=O)OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.71
CA1 P00915 6/20 0.71
CA2 P00918 6/20 0.71
CA7 P43166 6/20 0.71
CA9 Q16790 6/20 0.71
CA14 Q9ULX7 6/20 0.71
PDK2 Q15119 1/20 0.71
PDK4 Q16654 1/20 0.71
GAA P10253 2/20 0.52
EGFR P00533 2/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47

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
SCHEMBL2952989 0.93 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL4472418 0.86 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL14812864 0.85 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL158999 0.85 CA12 (0.74) CA12CA1CA2CA7CA9
Methyl 2,4-Dihydroxybenzoate SCHEMBL382883 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
Methyl 2,4-Dihydroxybenzoate SCHEMBL30917273 0.83 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL7563000 0.83 SLC6A3 (0.65) CA12CA1CA2CA7CA9
SCHEMBL131661 0.82 CA12 (0.69) CA12CA1CA2CA7CA9
Methyl 2,4-Dihydroxybenzoate SCHEMBL28334880 0.82 CA12 (0.96) CA12CA1CA2CA7CA9
SCHEMBL20244996 0.82 CA12 (0.69) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754891-B2 chiral ligand may coordinate with metal ions, such as copper, palladium and the like, to catalyze such reactions as asymmetric cyclopropylation reaction, intramolecular Wacker-Type cyclization reaction, asymmetric oxidation reaction of olefin, and intramolecular [2+1] ring addition reaction SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-07-13 US claimed
US-20090156829-A1 5,5'- POSITION LINKED 1,1'- BIPHENYL AXIAL CHIRAL LIGAND AND METHOD FOR PREPARING THE SAME SHANGHAI JIAOTONG UNIVERSITY (CN) 2009-06-18 US claimed
CN-101346359-A 5, 5' position connecting 1, 1'-biphenyl shaft chiral ligand and its synthesizing method UNIV SHANGHAI JIAOTONG (CN) 2009-01-14 CN claimed
US-7754891-B2 chiral ligand may coordinate with metal ions, such as copper, palladium and the like, to catalyze such reactions as asymmetric cyclopropylation reaction, intramolecular Wacker-Type cyclization reaction, asymmetric oxidation reaction of olefin, and intramolecular [2+1] ring addition reaction SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-07-13 US disclosed
US-7754891-B2 chiral ligand may coordinate with metal ions, such as copper, palladium and the like, to catalyze such reactions as asymmetric cyclopropylation reaction, intramolecular Wacker-Type cyclization reaction, asymmetric oxidation reaction of olefin, and intramolecular [2+1] ring addition reaction SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-07-13 US disclosed
US-7754891-B2 chiral ligand may coordinate with metal ions, such as copper, palladium and the like, to catalyze such reactions as asymmetric cyclopropylation reaction, intramolecular Wacker-Type cyclization reaction, asymmetric oxidation reaction of olefin, and intramolecular [2+1] ring addition reaction SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-07-13 US disclosed
US-20090156829-A1 5,5'- POSITION LINKED 1,1'- BIPHENYL AXIAL CHIRAL LIGAND AND METHOD FOR PREPARING THE SAME SHANGHAI JIAOTONG UNIVERSITY (CN) 2009-06-18 US disclosed
US-20090156829-A1 5,5'- POSITION LINKED 1,1'- BIPHENYL AXIAL CHIRAL LIGAND AND METHOD FOR PREPARING THE SAME SHANGHAI JIAOTONG UNIVERSITY (CN) 2009-06-18 US disclosed
US-20090156829-A1 5,5'- POSITION LINKED 1,1'- BIPHENYL AXIAL CHIRAL LIGAND AND METHOD FOR PREPARING THE SAME SHANGHAI JIAOTONG UNIVERSITY (CN) 2009-06-18 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-20090156829-A1 5,5'- POSITION LINKED 1,1'- BIPHENYL AXIAL CHIRAL LIGAND AND METHOD FOR PREPARING THE SAME AHR, CXCR5, CYP1B1 CA12 4035/4885CA1 2506/4885CA2 2027/4885

“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.