SCHEMBL5599006

SCHEMBL5599006

c1ccc(-c2ccccc2P(OC2CCCCC2)OC2CCCCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.36
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.33
CYP11B2 P19099 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 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
SCHEMBL2940772 0.74 FABP7 (0.36) ALDH1A1NPSR1FAAHMGLLCYP3A4
SCHEMBL133189 0.74 ALDH1A1 (0.41) HRH1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1159030 0.74 ALDH1A1 (0.41) HRH1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL29353025 0.74 ALDH1A1 (0.41) HRH1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL5840557 0.72 ALDH1A1 (0.40) HRH1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL33526641 0.72 ALDH1A1 (0.40) HRH1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL1931350 0.72 ALDH1A1 (0.40) HRH1ALDH1A1MEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL29639278 0.72 ALDH1A1 (0.40) HRH1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL16694717 0.72 GAA (0.39) HRH1ALDH1A1MEN1KMT2ANPSR1
SCHEMBL4450995 0.70 LMNA (0.33) LMNAKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1437356-B1 Copper complexes and the use thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-03-29 EP claimed
US-20040198997-A1 Copper complexes and their use LANXESS DEUTSCHLAND GMBH (DE) 2004-10-07 US claimed
US-7179946-B2 Copper complexes and their use LANXESS DEUTSCHLAND GMBH (DE) 2007-02-20 US disclosed
US-6946577-B2 Process for the production of aminodiphenylamines BAYER AKTIENGESELLSCHAFT (DE) 2005-09-20 US disclosed
US-20040198997-A1 Copper complexes and their use LANXESS DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040143139-A1 Process for the production of aminodiphenylamines LANXESS DEUTSCHLAND GMBH (DE) 2004-07-22 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-20040143139-A1 Process for the production of aminodiphenylamines NUDT1, ITPA, NAAA HRH1 689/4885ALDH1A1 693/4885MEN1 3217/4885
US-20040198997-A1 Copper complexes and their use SOD1, SOD3, ITPA HRH1 4481/4885ALDH1A1 2514/4885MEN1 1256/4885

“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.