SCHEMBL458609

SCHEMBL458609

COc1cc(OC)c(-c2c(OC)cc(OC)cc2P(=O)(c2ccccc2)c2ccccc2)c(P(=O)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
MEN1 O00255 4/20 0.41
HTR6 P50406 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL470696 0.93 KMT2A (0.45) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL458358 0.89 MAPT (0.43) KMT2AMAPTLMNAALDH1A1CYP3A4
SCHEMBL457816 0.86 LMNA (0.40) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL458031 0.84 KMT2A (0.48) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL6130221 0.82 KMT2A (0.62) KMT2AMAPTLMNAALDH1A1MEN1
SCHEMBL23494962 0.81 KMT2A (0.47) KMT2AMAPTSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL458557 0.81 ALDH1A1 (0.41) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL14754995 0.79 KMT2A (0.62) KMT2AMAPTLMNAALDH1A1MEN1
SCHEMBL470702 0.79 PTGS2 (0.38) KMT2AMAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL458326 0.78 CYP1A2 (0.39) LMNAALDH1A1CYP3A4CYP1A2HTR6

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-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-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-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
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
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
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 KMT2A 2699/4885MAPT 4543/4885LMNA 4638/4885

“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.