SCHEMBL709048

SCHEMBL709048

COc1cc(C(=O)N(C)OC)cc(OC)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.50
TUBB1 Q9H4B7 3/20 0.49
TUBB4A P04350 2/20 0.49
TUBB P07437 2/20 0.49
TUBA3C P0DPH7 2/20 0.49
TUBA1B P68363 2/20 0.49
TUBA4A P68366 2/20 0.49
TUBB4B P68371 2/20 0.49
TUBB3 Q13509 2/20 0.49
TUBB2A Q13885 2/20 0.49
TUBB8 Q3ZCM7 2/20 0.49
TUBA3E Q6PEY2 2/20 0.49
TUBA1A Q71U36 2/20 0.49
TUBA1C Q9BQE3 2/20 0.49
TUBB6 Q9BUF5 2/20 0.49
TUBB2B Q9BVA1 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL970447 0.85 RXFP1 (0.50) ALDH1A1MAPTLMNATPMTTSHR
SCHEMBL7376402 0.85 TUBB4A (0.51) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL257441 0.84 MLYCD (0.41) ABCG2ALDH1A1MAPTLMNAMAPK1
SCHEMBL15100737 0.84 MLYCD (0.41) ALDH1A1MAPTLMNATPMTTSHR
SCHEMBL1436447 0.83 TUBB4A (0.50) ABCG2TUBB1TUBB4ATUBBTUBA3C
SCHEMBL1190257 0.80 TDP1 (0.53) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL31419843 0.80 ALDH1A1 (0.53) ALDH1A1LMNATPMTMEN1KMT2A
SCHEMBL30807980 0.80 TPMT (0.49) ALDH1A1MAPTLMNATPMTTSHR
SCHEMBL26709446 0.80 LMNA (0.42) TUBB1LMNAMAPK1TPMTNFKB1
SCHEMBL31346688 0.80 ALOX5 (0.51) TUBB1ALDH1A1LMNAMAPK1NFKB1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
EP-1695955-B1 COMPOUNDS HAVING LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISM AND USES THEREOF ONO PHARMACEUTICAL CO (JP) 2011-10-12 EP disclosed
US-7875745-B2 {1-[(2S,3S)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-(3,5-dimethoxy-4- methylphenyl)-3-hydroxylpropyl]-1H-pyrrol-3-yl}acetic acid; for urinary system disease selected from the group of prostatic hypertrophy, neurogenic bladder dysfunction disease, dysuria, pollakiuria, night urination and urodynia ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-25 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-0476658-B1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMA (US) 1995-11-15 EP disclosed
US-5446068-A Antiinflammatory agent MERRELL DOW PHARMACEUTICALS INC. (US) 1995-08-29 US disclosed
US-5382670-A Platelet activating factor antagonists ABBOTT LABORATORIES (US) 1995-01-17 US disclosed
EP-0574494-A4 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LAB (US) 1994-07-06 EP disclosed
EP-0574494-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1993-12-22 EP disclosed
US-5248825-A Aromatic ketones containing triple bond MERRELL DOW PHARMACEUTICALS INC. (US) 1993-09-28 US disclosed
WO-1992014732-A1 INDOLES USEFUL AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1992-09-03 WO disclosed
EP-0499987-A1 Platelet activating factor antagonists ABBOTT LABORATORIES (US) 1992-08-26 EP disclosed
EP-0476658-A1 1-Phenyl-3-phenyl-2-propyne-1-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1992-03-25 EP disclosed
US-4929741-A ANTISECRETORY AGENTS, GASTRIC JUICE, ANTIULCER AGENTS HOFFMAN-LA ROCHE INC. (US) 1990-05-29 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 (4 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 ABCG2 1746/4885TUBB1 2339/4885TUBB4A 2712/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 ABCG2 1746/4885TUBB1 2339/4885TUBB4A 2712/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 ABCG2 1746/4885TUBB1 2339/4885TUBB4A 2712/4885
US-20070149595-A1 Compounds having lysophosphatidic acid receptor antagonism and uses thereof LPAR2, LPAR1, LPAR5 ABCG2 4084/4885TUBB1 4694/4885TUBB4A 4766/4885

“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.