SCHEMBL6129147

SCHEMBL6129147

COc1ccc(/C=C(\C)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 19/20 1.00
▸ TUBB4A P04350 11/20 1.00
▸ TUBB P07437 11/20 1.00
▸ TUBA3C P0DPH7 11/20 1.00
▸ TUBA1B P68363 11/20 1.00
▸ TUBA4A P68366 11/20 1.00
▸ TUBB4B P68371 11/20 1.00
▸ TUBB3 Q13509 11/20 1.00
▸ TUBB2A Q13885 11/20 1.00
▸ TUBB8 Q3ZCM7 11/20 1.00
▸ TUBA3E Q6PEY2 11/20 1.00
▸ TUBA1A Q71U36 11/20 1.00
▸ TUBA1C Q9BQE3 11/20 1.00
▸ TUBB6 Q9BUF5 11/20 1.00
▸ TUBB2B Q9BVA1 11/20 1.00
▸ HDAC1 Q13547 2/20 0.59
▸ HDAC8 Q9BY41 2/20 0.59
▸ HDAC6 Q9UBN7 2/20 0.59
▸ HDAC3 O15379 1/20 0.57
▸ HDAC4 P56524 1/20 0.57

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
SCHEMBL31032788 0.89 TUBB1 (0.80) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL14427612 0.89 TUBB1 (0.81) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6129276 0.86 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6129277 0.86 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6129111 0.85 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6346609 0.85 TUBB1 (0.74) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL6345988 0.84 TUBB1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B
Hydrochloric Acid SCHEMBL6352937 0.84 TUBB1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL28984318 0.84 TUBB1 (1.00) TUBB1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6776580 0.83 TUBB1 (0.73) TUBB1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2018-05-03 — — US disclosed
US-8552066-B2 Modified chalcone compounds as antimitotic agents ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2013-10-08 — — US disclosed
US-8552066-B2 Modified chalcone compounds as antimitotic agents ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2013-10-08 — — US disclosed
US-20100222380-A1 Modified Chalcone Compounds as Antimitotic Agents ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2010-09-02 — — US disclosed
US-7714025-B2 Modified chalcone compounds as antimitotic agents ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2010-05-11 — — US disclosed
US-20100028262-A1 3,4-METHYLENEDIOXY-SUBSTITUTED CHALCONES AS THERAPEUTIC AGENTS SPEAR THERAPEUTICS LIMITED (GB) 2010-02-04 — — US disclosed
US-7598294-B2 Antiproliferative agents; antiinflammatory agents; anticancer agents; diagnosis, therapy SPEAR THERAPEUTICS LIMITED (GB) 2009-10-06 — — US disclosed
US-20070265317-A1 MODIFIED CHALCONE COMPOUNDS AS ANTIMITOTIC AGENTS ARIZONA BIOMEDICAL RESEARCH COMMISSION (US) 2007-11-15 — — US disclosed
US-20050065213-A1 Combretastatin a-4 derivatives having antineoplastic activity LAWRENCE NICHOLAS JAMES (GB) 2005-03-24 — — US 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 (5 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 TUBB1 567/4885TUBB4A 61/4885TUBB 472/4885
US-20070265317-A1 MODIFIED CHALCONE COMPOUNDS AS ANTIMITOTIC AGENTS TUBA1C, SARS1, TUBB1 TUBB1 3/4885TUBB4A 18/4885TUBB 4/4885
US-20180118693-A1 COMPOUNDS FOR TREATMENT OF CANCER TP53, TUBB1, TUBB6 TUBB1 2/4885TUBB4A 7/4885TUBB 5/4885
US-20100222380-A1 Modified Chalcone Compounds as Antimitotic Agents TUBA1C, SARS1, TUBB1 TUBB1 3/4885TUBB4A 18/4885TUBB 4/4885
US-20100028262-A1 3,4-METHYLENEDIOXY-SUBSTITUTED CHALCONES AS THERAPEUTIC AGENTS RB1, BCL3, CCNO TUBB1 3172/4885TUBB4A 2184/4885TUBB 3408/4885

“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.

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