SCHEMBL4831482

SCHEMBL4831482

N#Cc1ccccc1Oc1[c]cccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
POLB P06746 1/20 0.49
MAP4K4 O95819 1/20 0.37
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
MAPK14 Q16539 1/20 0.36
AR P10275 1/20 0.36
TSHR P16473 1/20 0.35
PIN1 Q13526 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LRRK2 Q5S007 1/20 0.35
EZH2 Q15910 1/20 0.34
MAPK1 P28482 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
KCNH2 Q12809 1/20 0.33
GCK P35557 1/20 0.33

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
SCHEMBL5498019 0.83 MAP4K4 (0.45) GAAPOLBMAP4K4PDE4APDE4B
SCHEMBL11409791 0.82 EZH2 (0.32) GAAPOLBEZH2
SCHEMBL10965997 0.80 KDM4E (0.35) ALDH1A1MAPK1
SCHEMBL3848429 0.80 MAP4K4 (0.43) GAAPOLBMAP4K4MAPK14PIN1
SCHEMBL7054403 0.78 GAA (0.64) GAAPOLBMAP4K4PDE4APDE4B
SCHEMBL8431375 0.76 GAA (0.62) GAAPOLBMAP4K4PDE4APDE4B
SCHEMBL920567 0.76 GAA (0.46) GAAPOLBMAP4K4PDE4APDE4B
SCHEMBL1222332 0.76 ALOX5AP (0.37) GAAPIN1SMN1; SMN2ALDH1A1LRRK2
SCHEMBL920742 0.74 POLB (0.66) GAAPOLBMAP4K4PDE4APDE4B
SCHEMBL152163 0.73 LTA4H (0.32) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US claimed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO claimed
EP-1034164-A4 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2001-07-11 EP claimed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 EP claimed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 WO claimed
EP-0662477-A1 Heterobicyclic compounds with fungicidal activity ISAGRO S.p.A. (IT) 1995-07-12 EP claimed
US-7459472-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2008-12-02 US disclosed
US-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014534-A1 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 WO disclosed
US-6645939-B1 Very late antigen-4 (VLA) integrin antagonists; antiallergens, antiasthmatics, and antiinflammatory agents; multiple sclerosis, autoimmune disease treatment MERCK & CO., INC. 2003-11-11 US disclosed
US-6399731-B2 SYNTHESIZING POLYMERS USING PHOSPHOROUS-CONTAINING ADDITION-FRAGMENTATION CHAIN TRANSFER AGENTS; MOLECULAR WEIGHT CONTROL THE UNIVERSITY OF AKRON 2002-06-04 US disclosed
US-20020016424-A1 Synthesizing polymers using phosphorous-containing addition-fragmentation chain transfer agents; molecular weight control AKRON, THE UNIVERSITY OF 2002-02-07 US disclosed
EP-1034164-A1 SUBSTITUTED BETA-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2000-09-13 EP disclosed
WO-2000020465-A1 NOVEL CHAIN TRANSFER AGENTS THE UNIVERSITY OF AKRON (US) 2000-04-13 WO disclosed
WO-1999026921-A1 SUBSTITUTED β-ALANINE DERIVATIVES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-06-03 WO disclosed
US-5716974-A TREATING FUNGAL PLANT DISEASES ISAGRO S.P.A. (IT) 1998-02-10 US disclosed
EP-0662477-A1 Heterobicyclic compounds with fungicidal activity ISAGRO S.p.A. (IT) 1995-07-12 EP disclosed
US-4414210-A 2-Hydroxyarylethyltriazole fungicides ROHM AND HAAS COMPANY (US) 1983-11-08 US disclosed
US-4413003-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1983-11-01 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 (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-20050059713-A1 Aryl and heteroaryl compounds, compositions, and methods of use CYP2F1, CYP3A43, PNPO GAA 420/4885POLB 881/4885MAP4K4 4217/4885

“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.