SCHEMBL5437538

SCHEMBL5437538

c1c[nH]c(Pc2ccc[nH]2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
FKBP5 Q13451 1/20 0.33
MCL1 Q07820 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
Hydrochloric Acid SCHEMBL28788642 0.97 DAO (0.33) DAOHDAC8HDAC6AURKAAURKB
SCHEMBL31038266 0.68
SCHEMBL5348675 0.68
Hydrochloric Acid SCHEMBL7112002 0.67 DAO (0.39) DAOHDAC8HDAC6AURKAAURKB
Bromide SCHEMBL7111294 0.67 DAO (0.39) DAOHDAC8HDAC6AURKAAURKB
Fluoride Ion SCHEMBL7113741 0.67 DAO (0.39) DAOHDAC8HDAC6AURKAAURKB
SCHEMBL630634 0.62 HDAC6 (0.41) DAOHDAC8HDAC6AURKAAURKB
SCHEMBL30659527 0.60
Hydrochloric Acid SCHEMBL7988951 0.60 HDAC6 (0.40) DAOHDAC8HDAC6AURKAAURKB
SCHEMBL22939898 0.59 DAO (0.39) DAOAURKAKDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594716-A Ligand for catalyzing olefin hydroformylation reaction to prepare branched chain aldehyde and preparation method and application thereof 万华化学集团股份有限公司(CN) 2023-01-13 CN disclosed
CN-112898140-B Method for preparing aldehyde based on internal olefin catalyzed by phosphoramidite phosphine ligand 四川大学 2022-07-22 CN disclosed
CN-112898140-A Method for preparing aldehyde based on internal olefin catalyzed by phosphoramidite phosphine ligand 四川大学 2021-06-04 CN disclosed
US-7173138-B2 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2007-02-06 US disclosed
US-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation BASF AKTIENGESELLSCHAFT (DE) 2004-06-10 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-20040110960-A1 Ligands for pnicogen chelate complexes with a metal of subgroup VIII and use of the complexes as catalysts for hydroformylation, carbonylation, hydrocyanation or hydrogenation OGG1, HPD, HPGD DAO 3520/4885HDAC8 1015/4885HDAC6 3091/4885

“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.