SCHEMBL4801800

SCHEMBL4801800

COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)cnn2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 11/20 0.46
TUBB P07437 11/20 0.46
TUBA3C P0DPH7 11/20 0.46
TUBA1B P68363 11/20 0.46
TUBA4A P68366 11/20 0.46
TUBB4B P68371 11/20 0.46
TUBB3 Q13509 11/20 0.46
TUBB2A Q13885 11/20 0.46
TUBB8 Q3ZCM7 11/20 0.46
TUBA3E Q6PEY2 11/20 0.46
TUBA1A Q71U36 11/20 0.46
TUBA1C Q9BQE3 11/20 0.46
TUBB6 Q9BUF5 11/20 0.46
TUBB2B Q9BVA1 11/20 0.46
TUBB1 Q9H4B7 11/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
SCHEMBL4469746 0.77 DYRK1A (0.44) SMN1; SMN2
SCHEMBL31400306 0.77 POLB (0.45)
SCHEMBL20839878 0.76 KMT2A (0.45) SMN1; SMN2
SCHEMBL13931951 0.76 TUBB1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4474513 0.69 DYRK1A (0.43) SMN1; SMN2
SCHEMBL13931952 0.69 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4819729 0.68 TUBB4A (0.75) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4479580 0.67 CDK4 (0.43) SMN1; SMN2
SCHEMBL4823325 0.67 TUBB1 (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4799476 0.67 TUBB1 (0.61) 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
US-7456289-B2 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-25 US disclosed
US-7417035-B2 Phospholipid derivatives of non-steroidal anti-inflammatory drugs D-PHARM LTD. (IL) 2008-08-26 US disclosed
EP-1838711-A2 ANTI-TUMOR COMPOUNDS National Health Research Institutes (TW) 2007-10-03 EP disclosed
US-20070191310-A1 Phospholipid derivatives of non-steroidal anti- inflammatory drugs D-PHARM, LTD. (IL) 2007-08-16 US disclosed
US-7173018-B2 Phospholipid derivatives of non-steroidal anti-inflammatory drugs D-PHARM, LTD. (IL) 2007-02-06 US disclosed
WO-2006074041-A2 ANTI-TUMOR COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-13 WO disclosed
US-20060148801-A1 Anti-tumor compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2006-07-06 US disclosed
US-20040209304-A1 Methods of searching for solid forms and screening a sample according to its forms PURDUE RESEARCH FOUNDATION 2004-10-21 US disclosed
EP-0624087-B1 SPRAY-CHILLED NABUMETONE SMITHKLINE BEECHAM PLC (GB) 1997-03-19 EP disclosed
US-5539000-A Spray-chilled nabumetone SMITHKLINE BEECHAM P.L.C. (GB) 1996-07-23 US disclosed
EP-0624087-A1 SPRAY-CHILLED NABUMETONE. SMITHKLINE BEECHAM PLC (GB) 1994-11-17 EP disclosed
WO-1993014747-A1 SPRAY-CHILLED NABUMETONE SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO disclosed
EP-0322068-B1 DERIVATIVES OF THIAZOLIDINE-4-CARBOXYLIC ACID HAVING PHARMACOLOGICAL ACTIVITY ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
US-4952596-A Derivatives of thiazolidine-4-carboxylic acid having pharmacological activity ZAMBON S.P.A. (IT) 1990-08-28 US disclosed
EP-0322068-A1 Derivatives of thiazolidine-4-carboxylic acid having pharmacological activity ZAMBON GROUP S.p.A. (IT) 1989-06-28 EP disclosed
US-4420639-A Aromatic compounds BEECHAM GROUP LIMITED (GB) 1983-12-13 US disclosed
EP-0003643-A1 Process for the preparation of 4-(6-methoxy-2-naphthyl)-butan-2-one; 4-(6-methoxy-2-naphthyl)-4-hydroxybut-3-en-2-one and a process for its preparation BEECHAM GROUP PLC (GB) 1979-08-22 EP disclosed
EP-0003643-A1 Process for the preparation of 4-(6-methoxy-2-naphthyl)-butan-2-one; 4-(6-methoxy-2-naphthyl)-4-hydroxybut-3-en-2-one and a process for its preparation BEECHAM GROUP PLC (GB) 1979-08-22 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 (2 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-20060148801-A1 Anti-tumor compounds TUBB1, TUBB3, TUBB TUBB4A 5/4885TUBB 3/4885TUBA3C 18/4885
US-20070191310-A1 Phospholipid derivatives of non-steroidal anti- inflammatory drugs PTGIS, PTGES, PHOSPHO1 TUBB4A 1417/4885TUBB 1862/4885TUBA3C 2902/4885

“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.