SCHEMBL6044372

SCHEMBL6044372

Brc1ccc2c(c1)OOCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
AHR P35869 4/20 0.38
KCNH2 Q12809 1/20 0.35
PNMT P11086 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
APP P05067 1/20 0.31
BACE1 P56817 1/20 0.31
KDM1A O60341 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 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
SCHEMBL6725684 0.89 LMNA (0.41) MAPTLMNAHTTBLMAHR
SCHEMBL3524411 0.81 LMNA (0.50) MAPTLMNAHTTBLMAHR
SCHEMBL30034940 0.81 LMNA (0.50) MAPTLMNAHTTBLMAHR
SCHEMBL97599 0.78
SCHEMBL3838626 0.78 MAPT (0.38) MAPTLMNATDP1
SCHEMBL11816254 0.76 AHR (0.43) MAPTLMNAHTTBLMAHR
SCHEMBL3519647 0.76 MAPT (0.48) MAPTLMNAHTTBLMAHR
SCHEMBL95231 0.74 KCNH2 (0.34) MAPTKCNH2CYP3A4
SCHEMBL11519567 0.74 KCNH2 (0.34) KCNH2
SCHEMBL11521104 0.74 ALDH1A1 (0.43) MAPTKCNH2TDP1

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
US-7078568-B2 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-07-18 US disclosed
US-6987202-B2 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-01-17 US disclosed
US-20050288531-A1 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes SHIMIZU HIDEO 2005-12-29 US disclosed
EP-1419815-A1 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes Takasago International Corporation (JP) 2004-05-19 EP disclosed
US-20040092388-A1 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-05-13 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-20050288531-A1 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes PHOSPHO1, PRMT1, PRMT9 MAPT 3919/4885LMNA 4721/4885HTT 3803/4885
US-20040092388-A1 Phosphine compounds, transition metal complexes with the compounds contained as ligands therein, and asymmetric synthesis catalysts containing the complexes PHOSPHO1, INPP5B, PRMT1 MAPT 3904/4885LMNA 4667/4885HTT 4217/4885

“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.