Sugi Predict

Sugi Predict / Compounds / SCHEMBL6106967

SCHEMBL6106967

SCHEMBL6106967

CC(C(C)P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2)P(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A2 O15244 2/20 0.42
▸ SLC47A1 Q96FL8 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ GRIN2D O15399 6/20 0.35
▸ GRIN3B O60391 6/20 0.35
▸ GRIN1 Q05586 6/20 0.35
▸ GRIN2A Q12879 6/20 0.35
▸ GRIN2B Q13224 6/20 0.35
▸ GRIN2C Q14957 6/20 0.35
▸ GRIN3A Q8TCU5 6/20 0.35
▸ LMNA P02545 2/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ STAT6 P42226 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ EPHX1 P07099 1/20 0.32
▸ NPC1 O15118 1/20 0.32

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
SCHEMBL7055728 0.84 SLC22A2 (0.42) SLC22A2SLC47A1MAPTSMN1; SMN2KMT2A
SCHEMBL2919595 0.84 SLC22A2 (0.42) SLC22A2SLC47A1MAPTSMN1; SMN2KMT2A
SCHEMBL31105670 0.77 SLC22A2 (0.37) SLC22A2SLC47A1MAPTSMN1; SMN2KMT2A
SCHEMBL2928546 0.74 SLC22A2 (0.42) SLC22A2SLC47A1MAPTSMN1; SMN2KMT2A
SCHEMBL2827344 0.73 KMT2A (0.36) SLC22A2SLC47A1MAPTSMN1; SMN2KMT2A
SCHEMBL24541764 0.71 SLC22A2 (0.32) SLC22A2SLC47A1MAPT
SCHEMBL2929936 0.70 SLC22A2 (0.31) SLC22A2SLC47A1MAPTSMN1; SMN2KMT2A
SCHEMBL1092580 0.69 GRIN2D (0.39) SLC22A2SLC47A1MAPTSMN1; SMN2GRIN2D
SCHEMBL2929198 0.69 GRIN2D (0.39) SLC22A2SLC47A1MAPTSMN1; SMN2GRIN2D
SCHEMBL17273867 0.69 GRIN2D (0.41) SLC22A2SLC47A1MAPTSMN1; SMN2KMT2A

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-7148176-B2 Production of novel phosphane ligands and use in catalytical reactions DEGUSSA AG (DE) 2006-12-12 — — US disclosed
US-20040068131-A1 (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics EVONIK DEGUSSA GMBH (DE) 2004-04-08 — — US disclosed
EP-1303525-A1 PRODUCTION OF NOVEL PHOSPHANE LIGANDS AND USE IN CATALYTICAL REACTIONS Degussa AG (DE) 2003-04-23 — — EP disclosed
WO-2002010178-A1 ADAMANTYL GROUPS CONTAINING PHOSPHANE LIGANDS, THE PRODUCTION AND USE THEREOF IN CATALYTICAL REACTIONS DEGUSSA AG (DE) 2002-02-07 — — 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-20040068131-A1 (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics NAPEPLD, NAPA, APBA1 SLC22A2 1433/4885SLC47A1 2327/4885MAPT 4187/4885

“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.