SCHEMBL6483085

SCHEMBL6483085

COc1cc(CCc2ccc(N)cc2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 1.00
TUBB4A P04350 3/20 0.71
TUBB P07437 3/20 0.71
TUBA3C P0DPH7 3/20 0.71
TUBA1B P68363 3/20 0.71
TUBA4A P68366 3/20 0.71
TUBB4B P68371 3/20 0.71
TUBB3 Q13509 3/20 0.71
TUBB2A Q13885 3/20 0.71
TUBB8 Q3ZCM7 3/20 0.71
TUBA3E Q6PEY2 3/20 0.71
TUBA1A Q71U36 3/20 0.71
TUBA1C Q9BQE3 3/20 0.71
TUBB6 Q9BUF5 3/20 0.71
TUBB2B Q9BVA1 3/20 0.71
TUBB1 Q9H4B7 3/20 0.71
HTR2A P28223 1/20 0.67
HTR2C P28335 1/20 0.67
HTR2B P41595 1/20 0.67
AOC3 Q16853 2/20 0.54

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
SCHEMBL4464142 0.84 HTR2A (0.75) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL663128 0.83 TUBB4A (1.00) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6481605 0.83 CYP19A1 (1.00) CYP19A1AOC3GFER
SCHEMBL9184918 0.83 TUBB1 (0.73) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9189942 0.83 TUBB4A (0.73) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4967750 0.82 CYP19A1 (0.70) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14193179 0.82 CYP19A1 (0.69) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9089503 0.81 TUBB4A (0.71) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3160224 0.81 CYP19A1 (0.68) CYP19A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29689431 0.81 TUBB4A (0.74) CYP19A1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972287-B1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits PFIZER INC. (US) 2005-12-06 US disclosed
US-20040220235-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits AUGELLI-SZAFRAN CORINNE ELIZAB (US) 2004-11-04 US disclosed
EP-1225886-A2 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2002-07-31 EP disclosed
WO-2000076489-A2 METHOD OF INHIBITING AMYLOID PROTEIN AGGREGATION AND IMAGING AMYLOID DEPOSITS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO disclosed
US-5430062-A Combretastatin analogues; inhibition of tubulin polymerization and colchicine binding; antitumor,-mitotic and -neoplastic agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-07-04 US disclosed
EP-0641301-A1 STILBENE DERIVATIVES AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-08 EP disclosed
WO-1993023357-A1 STILBENE DERIVATIVES AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-11-25 WO disclosed
EP-0221346-B1 (N-SUBSTITUTED-2-HYDROXY) BENZAMIDES AND N-SUBSTITUTED-2-HYDROXY-ALPHA-OXO-BENZENEACETAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF HAVING ACTIVITY AS MODULATORS OF THE ARACHIDONIC ACID CASCADE WARNER-LAMBERT COMPANY (US) 1991-01-30 EP disclosed
US-4939133-A N-substituted-2-hydroxy-α-oxo-benzeneacetamides and pharmaceutical compositions having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1990-07-03 US disclosed
US-4921871-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1990-05-01 US disclosed
US-4874758-A LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-10-17 US disclosed
US-4868195-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868200-A LEUKOTRIENES, LIPOXYGENASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868205-A ANTIALLERGENS, ANTIINFLAMMATORY, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4868199-A ENZYME INHIBITORS, ANTIALLERGEN, ASTHMA, CARDIOVASCULAR, ANTIINFLAMMATORY WARNER-LAMBERT COMPANY (US) 1989-09-19 US disclosed
US-4761424-A Enolamides, pharmaceutical compositions and methods for treating inflammation WARNER-LAMBERT COMPANY (US) 1988-08-02 US disclosed
EP-0221346-A1 (N-substituted-2-hydroxy) benzamides and N-substituted-2-hydroxy-alpha-oxo-benzeneacetamides and pharmaceutical compositions thereof having activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 EP disclosed
EP-0221345-A1 Novel enolamides, process for their manufacture and pharmaceutical compositions thereof with an activity as modulators of the arachidonic acid cascade WARNER-LAMBERT COMPANY (US) 1987-05-13 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-20040220235-A1 Method of inhibiting amyloid protein aggregation and imaging amyloid deposits APP, PSEN1, BACE1 CYP19A1 3180/4885TUBB4A 173/4885TUBB 251/4885

“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.