SCHEMBL3060285

SCHEMBL3060285

COc1ccc2ccc(O)c(-c3nnc(Cl)c4ccccc34)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.43
CYP11B1 P15538 3/20 0.43
CYP11B2 P19099 3/20 0.43
MPL P40238 1/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
SALL4 Q9UJQ4 2/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL3079028 0.83 PTPN22 (0.43) CYP3A4MAPTMAPK1ALDH1A1KDM4E
SCHEMBL3076814 0.78 ALDH1A1 (0.41) MPLKMT2AMEN1MAPTTDP1
SCHEMBL5329818 0.77 ALDH1A1 (0.50) CYP11B1CYP11B2KMT2AMEN1MAPT
SCHEMBL3073070 0.77 ADORA2A (0.40) CYP17A1CYP11B1CYP11B2MPLKMT2A
SCHEMBL1305457 0.77 KDM4E (0.50) CYP17A1CYP11B1CYP11B2MPLCYP3A4
SCHEMBL1757976 0.75 MEN1 (0.49) CYP3A4KMT2AMEN1MAPTTDP1
SCHEMBL1396133 0.73 NPSR1 (0.57) KMT2AMEN1MAPTTDP1MAPK1
SCHEMBL31359827 0.73 NPSR1 (0.57) KMT2AMEN1MAPTTDP1MAPK1
SCHEMBL6585632 0.72 PDE4A (0.60) KMT2AMEN1TDP1MAPK1HTT
SCHEMBL4845442 0.72 PDE4A (0.57) KMT2AMEN1MAPTTDP1HTT

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-7790882-B2 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick M. (CH) 2010-09-07 US disclosed
EP-1773853-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS Sumitomo Chemical Company, Limited (JP) 2007-04-18 EP disclosed
WO-2005121157-A1 MONOPHOSPHINE COMPOUNDS, TRANSITION METAL COMPLEXES THEREOF AND PRODUCTION OF OPTICALLY ACTIVE COMPOUNDS USING THE COMPLEXES AS ASYMMETRIC CATALYSTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-12-22 WO disclosed
US-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst Carreira, Erick (CH) 2005-12-15 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-20050277772-A1 Monophosphine compound, transition metal complex thereof and production method of optically active compound using the complex as asymmetric catalyst C1R, ARL1, C5 CYP17A1 1439/4885CYP11B1 1966/4885CYP11B2 1558/4885

“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.