SCHEMBL5598781

SCHEMBL5598781

CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(Oc1ccccc1)Oc1c(cc(C(C)(C)C)cc1C(C)(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.33
CD69 Q07108 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 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
SCHEMBL10627261 0.87 ALDH1A1 (0.30)
SCHEMBL9004174 0.82 ELANE (0.36) ELANECD69
SCHEMBL29385796 0.82 ELANE (0.31) ELANECD69
SCHEMBL9416882 0.82 ELANE (0.31) ELANECD69
SCHEMBL5051101 0.80 ELANE (0.35) ELANECD69
SCHEMBL8636490 0.80 CYP1A2 (0.33) ELANECD69CYP1A2CYP3A4CYP2C9
SCHEMBL10583884 0.79 ELANE (0.34) ELANECD69
SCHEMBL29509823 0.79 USP2 (0.33)
SCHEMBL1619437 0.78 KMT2A (0.33)
SCHEMBL6048235 0.77 ELANE (0.35) ELANECD69

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 10 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
EP-1437356-A1 Copper complexes and the use thereof Bayer Chemicals AG (DE) 2004-07-14 EP claimed
US-7179946-B2 Copper complexes and their use LANXESS DEUTSCHLAND GMBH (DE) 2007-02-20 US disclosed
EP-1437356-B1 Copper complexes and the use thereof LANXESS DEUTSCHLAND GMBH (DE) 2006-03-29 EP 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
EP-1437340-A1 Process for the preparation of aminodiphenylamines Bayer Aktiengesellschaft (DE) 2004-07-14 EP disclosed
EP-1437356-A1 Copper complexes and the use thereof Bayer Chemicals AG (DE) 2004-07-14 EP 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 ELANE 2545/4885CD69 2779/4885CYP1A2 300/4885
US-20040198997-A1 Copper complexes and their use SOD1, SOD3, ITPA ELANE 1007/4885CD69 4787/4885CYP1A2 950/4885

“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.