SCHEMBL5598440

SCHEMBL5598440

c1ccc(OP(Oc2ccccc2)c2cccc(OP(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.32
TSHR P16473 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAOB P27338 1/20 0.31
CA4 P22748 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 SCHEMBL5598653 0.96 LTA4H (0.30) LTA4HTSHRCYP3A4TDP1
SCHEMBL1465968 0.87 TDP1 (0.38) LTA4HTSHRCYP3A4TDP1MAOB
SCHEMBL195629 0.85 LTA4H (0.43) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL7615332 0.83 LTA4H (0.41) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL3628714 0.82 LTA4H (0.33) LTA4HTSHRCYP3A4TDP1MAOB
SCHEMBL3628711 0.82 LTA4H (0.33) LTA4HTSHRCYP3A4TDP1MAOB
SCHEMBL1466000 0.82 LTA4H (0.33) LTA4HTSHRCYP3A4TDP1MAOB
SCHEMBL17189423 0.80 CYP3A4 (0.43) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL195903 0.80 LTA4H (0.43) LTA4HTSHRCYP3A4TDP1CA4
SCHEMBL28048701 0.79 LTA4H (0.38) LTA4HTSHRCYP3A4TDP1CA4

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 LTA4H 1050/4885TSHR 4313/4885CYP3A4 199/4885
US-20040198997-A1 Copper complexes and their use SOD1, SOD3, ITPA LTA4H 3598/4885TSHR 3515/4885CYP3A4 1213/4885

“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.