SCHEMBL6129133

SCHEMBL6129133

COc1ccc(-c2cc(=O)c3cc(OC)c(OC)c(OC)c3o2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.71
TUBB P07437 1/20 0.71
TUBA3C P0DPH7 1/20 0.71
TUBA1B P68363 1/20 0.71
TUBA4A P68366 1/20 0.71
TUBB4B P68371 1/20 0.71
TUBB3 Q13509 1/20 0.71
TUBB2A Q13885 1/20 0.71
TUBB8 Q3ZCM7 1/20 0.71
TUBA3E Q6PEY2 1/20 0.71
TUBA1A Q71U36 1/20 0.71
TUBA1C Q9BQE3 1/20 0.71
TUBB6 Q9BUF5 1/20 0.71
TUBB2B Q9BVA1 1/20 0.71
TUBB1 Q9H4B7 1/20 0.71
CYP1B1 Q16678 6/20 0.68
CYP1A1 P04798 5/20 0.68
TERT O14746 4/20 0.68
AURKA O14965 1/20 0.62
KDR P35968 1/20 0.62

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
SCHEMBL6613755 0.89 TERT (0.77) CYP1B1CYP1A1TERTAURKAKDR
SCHEMBL16894651 0.88 TUBB4A (0.76) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6614365 0.88 TERT (0.80) CYP1B1CYP1A1TERTAURKAKDR
SCHEMBL8934506 0.87 TUBB4A (0.79) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5442940 0.87 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13325112 0.86 TUBB4A (0.73) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30082749 0.84 ALDH1A1 (0.79) CYP1B1CYP1A1AURKAKDRFLT3
SCHEMBL1764091 0.84 ALDH1A1 (0.79) CYP1B1CYP1A1AURKAKDRFLT3
SCHEMBL8934505 0.83 CYP1A1 (0.69) CYP1B1CYP1A1TERTAURKAKDR
SCHEMBL4288186 0.83 TUBB4A (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 WO claimed
US-20050065213-A1 Combretastatin a-4 derivatives having antineoplastic activity LAWRENCE NICHOLAS JAMES (GB) 2005-03-24 US disclosed
WO-1996031206-A2 FLAVONES AND COUMARINS AS AGENTS FOR THE TREATMENT OF ATHEROSCLEROSIS WARNER-LAMBERT COMPANY (US) 1996-10-10 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-20050065213-A1 Combretastatin a-4 derivatives having antineoplastic activity AURKA, AURKB, HDAC4 TUBB4A 61/4885TUBB 472/4885TUBA3C 765/4885

“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.