SCHEMBL4084097

SCHEMBL4084097

CP(c1nc2ccccc2nc1P(C)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 2/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.34
CNR1 P21554 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CNR2 P34972 2/20 0.34
POLB P06746 1/20 0.34
THRB P10828 1/20 0.34
EPHX2 P34913 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
SCHEMBL22714067 0.94 LMNA (0.36) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL22714066 0.94 LMNA (0.36) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL30137705 0.94 LMNA (0.36) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL30137702 0.90 CYP11B1 (0.33) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL22714073 0.90 CYP11B1 (0.33) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL22714072 0.90 CYP11B1 (0.33) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL5455643 0.80 SMN1; SMN2 (0.42) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL22714069 0.77 SMN1; SMN2 (0.34) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL22714071 0.77 SMN1; SMN2 (0.34) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL4280741 0.74 TSHR (0.37) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608709-B2 2, 3-bis(dialkylphosphino)pyrazine derivative, process of producing the same, and metal complex having the same as ligand NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2009-10-27 US claimed
US-8076480-B2 Process of preparing optically active allyl compound NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2011-12-13 US disclosed
US-8076480-B2 Process of preparing optically active allyl compound NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2011-12-13 US disclosed
US-8076480-B2 Process of preparing optically active allyl compound NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2011-12-13 US disclosed
US-7649117-B2 Process of preparing optically active β-hydroxycarboxylic acid derivative NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2010-01-19 US disclosed
US-7608709-B2 2, 3-bis(dialkylphosphino)pyrazine derivative, process of producing the same, and metal complex having the same as ligand NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2009-10-27 US disclosed
US-20090030231-A1 PROCESS OF PREPARING OPTICALLY ACTIVE B-HYDROXYCARBOXYLIC ACID DERIVATIVE NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2009-01-29 US disclosed
US-20090030231-A1 PROCESS OF PREPARING OPTICALLY ACTIVE B-HYDROXYCARBOXYLIC ACID DERIVATIVE NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2009-01-29 US disclosed
US-20090030200-A1 PROCESS OF PREPARING OPTICALLY ACTIVE ALLYL COMPOUND NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2009-01-29 US disclosed
US-20090030200-A1 PROCESS OF PREPARING OPTICALLY ACTIVE ALLYL COMPOUND NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2009-01-29 US disclosed
US-20090030200-A1 PROCESS OF PREPARING OPTICALLY ACTIVE ALLYL COMPOUND NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2009-01-29 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 (2 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-20090030200-A1 PROCESS OF PREPARING OPTICALLY ACTIVE ALLYL COMPOUND DHPS, ITPA, PDXK CYP11B1 1120/4885CYP11B2 936/4885SMN1; SMN2 4206/4885
US-20090030231-A1 PROCESS OF PREPARING OPTICALLY ACTIVE B-HYDROXYCARBOXYLIC ACID DERIVATIVE KMO, DHPS, KHK CYP11B1 834/4885CYP11B2 528/4885SMN1; SMN2 4828/4885

“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.