SCHEMBL6568779

SCHEMBL6568779

COc1c(C(C)(C)C)cc(CCCO)cc1C(C)(C)CC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.42
DHFR P00374 1/20 0.36
PTGS2 P35354 2/20 0.33
CYP3A4 P08684 2/20 0.33
VCAM1 P19320 2/20 0.33
PPARA Q07869 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33

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
SCHEMBL6565809 0.93 DHFR (0.37) TNKS2DHFRPTGS2CYP3A4VCAM1
SCHEMBL6568715 0.91 TNKS2 (0.49) TNKS2DHFRPTGS2CYP3A4VCAM1
SCHEMBL6567743 0.88 TNKS2 (0.42) TNKS2DHFRPTGS2CYP3A4VCAM1
SCHEMBL6567714 0.87 TNKS2 (0.41) TNKS2PTGS2CYP3A4PPARATUBB4A
SCHEMBL6566985 0.86 TNKS2 (0.44) TNKS2DHFRPTGS2CYP3A4VCAM1
SCHEMBL6565863 0.85 TNKS2 (0.39) TNKS2DHFRPTGS2CYP3A4PPARA
SCHEMBL6568783 0.83 PTGS2 (0.40) TNKS2DHFRPTGS2CYP3A4
SCHEMBL6123748 0.82 TNKS2 (0.44) TNKS2DHFRCYP3A4VCAM1PPARA
SCHEMBL7796625 0.82 GAA (0.39) VCAM1GAATNFRSF1AKCNH2
SCHEMBL7944894 0.81 ALOX5 (0.38) CYP3A4VCAM1CYP4A11GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1484334-A2 Process for producing phosphite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-08 EP disclosed
US-20040225145-A1 Process for producing phosphite SUMITOMO CHEMICAL COMPANY, LIMITED 2004-11-11 US disclosed
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed
US-6242514-B1 CYCLIC PHOSPHATE OR PHOSPHONATE; HEAT AND OXIDATION STABILIZER ESPECIALLY FOR OLEFIN POLYMERS AND ENGINEERING THERMOPLASTICS SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2001-06-05 US disclosed
US-5914361-A IMPART HEAT STABILITY TO ORGANIC MATERIALS, INCLUDING POLYOLEFINS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-06-22 US disclosed
US-5889095-A OXYGEN AND HEAT RESISTANCE SUMITOMO CHEMICAL COMPANY, LTD. (JP) 1999-03-30 US disclosed
EP-0823435-A2 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-02-11 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 (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-20040225145-A1 Process for producing phosphite PHOSPHO1, PLCG1, PLCG2 TNKS2 3019/4885DHFR 3533/4885PTGS2 2133/4885

“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.