Sugi Predict

Sugi Predict / Compounds / SCHEMBL458557

SCHEMBL458557

SCHEMBL458557

COc1cc(OC)c(-c2c(OC)cc(OC)cc2P(=O)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c(P(=O)(c2cc(C)cc(C)c2)c2cc(C)cc(C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CNR2 P34972 2/20 0.37
▸ NQO2 P16083 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ LMNA P02545 3/20 0.35
▸ ELANE P08246 3/20 0.34
▸ HTT P42858 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ AHR P35869 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ GLA P06280 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
SCHEMBL457816 0.86 LMNA (0.40) ALDH1A1CYP3A4CYP1A2NQO2ACHE
SCHEMBL15119997 0.85 PGK1 (0.34) ALDH1A1CYP3A4CYP1A2MAPK1LMNA
SCHEMBL459993 0.84 MAOB (0.38) ALDH1A1CYP3A4CYP1A2NQO2ACHE
SCHEMBL458326 0.84 CYP1A2 (0.39) ALDH1A1CYP3A4CYP1A2NQO2ACHE
SCHEMBL470696 0.84 KMT2A (0.45) ALDH1A1CYP3A4CYP1A2MAPK1LMNA
SCHEMBL458358 0.82 MAPT (0.43) ALDH1A1CYP3A4CYP1A2ACHELMNA
SCHEMBL458609 0.81 KMT2A (0.50) ALDH1A1CYP3A4CYP1A2MAPK1LMNA
SCHEMBL459966 0.79 ALDH1A1 (0.37) ALDH1A1CYP3A4CYP1A2ACHELMNA
SCHEMBL458095 0.78 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP1A2ACHETDP1
SCHEMBL15121106 0.78 LMNA (0.35) ALDH1A1CYP3A4CYP1A2NQO2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062085-B2 Biaryl diphosphine ligands, intermediates of the same and their use in asymmetric catalysis KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2015-06-23 — — US disclosed
US-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2013-07-18 — — US disclosed
EP-2614069-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS Kanata Chemical Technologies Inc. (CA) 2013-07-17 — — EP disclosed
WO-2012031358-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-03-15 — — WO 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-20130184479-A1 BIARYL DIPHOSPHINE LIGANDS, INTERMEDIATES OF THE SAME AND THEIR USE IN ASYMMETRIC CATALYSIS AGPS, COASY, BLVRB ALDH1A1 1187/4885CYP3A4 121/4885CYP1A2 57/4885

“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.