SCHEMBL5014958

SCHEMBL5014958

COc1cc(C(=O)c2ccc(Cl)cc2N)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.57
TUBB P07437 5/20 0.57
TUBA3C P0DPH7 5/20 0.57
TUBA1B P68363 5/20 0.57
TUBA4A P68366 5/20 0.57
TUBB4B P68371 5/20 0.57
TUBB3 Q13509 5/20 0.57
TUBB2A Q13885 5/20 0.57
TUBB8 Q3ZCM7 5/20 0.57
TUBA3E Q6PEY2 5/20 0.57
TUBA1A Q71U36 5/20 0.57
TUBA1C Q9BQE3 5/20 0.57
TUBB6 Q9BUF5 5/20 0.57
TUBB2B Q9BVA1 5/20 0.57
TUBB1 Q9H4B7 5/20 0.57
ABL1 P00519 1/20 0.55
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL6233142 0.89 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4978045 0.84 TUBB4A (0.58) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1307961 0.83 LMNA (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15870034 0.81 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10372518 0.81 TSHR (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL212051 0.80 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28015863 0.79 MAPT (0.73) ABL1MAPT
SCHEMBL11474723 0.78 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13638243 0.78 TUBB4A (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1308067 0.77 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 US disclosed
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 US disclosed
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 US disclosed
EP-1735317-A1 ANNELATED QUINOLINE DERIVATIVES AS PESTICIDE Bayer CropScience Aktiengesellschaft (DE) 2006-12-27 EP disclosed
WO-2005097802-A1 ANNELATED QUINOLINE DERIVATIVES AS PESTICIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-10-20 WO 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-20080113994-A1 Annelated Quinoline Derivatives As Pesticide DDT, ACHE, SIRT4 TUBB4A 959/4885TUBB 628/4885TUBA3C 281/4885

“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.