SCHEMBL859924

SCHEMBL859924

CCCOc1cccc2cc[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.51
MCHR1 Q99705 2/20 0.46
AHR P35869 1/20 0.43
PDE5A O76074 2/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
HTR1B P28222 3/20 0.40
HTR1D P28221 2/20 0.40
HTR1A P08908 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
TLR8 Q9NR97 1/20 0.40
CYP2A6 P11509 1/20 0.39
KEAP1 Q14145 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL837183 0.92 BCHE (0.50) BCHEMCHR1AHRPDE5APPARG
SCHEMBL593890 0.86 BCHE (0.54) BCHEAHRPDE5AKEAP1
SCHEMBL837560 0.85 BCHE (0.48) BCHEAHRPPARGPPARDPPARA
SCHEMBL4317622 0.83 BCHE (0.49) BCHEAHRPDE5APPARGPPARD
SCHEMBL12543495 0.83 AHR (0.47) BCHEAHRPDE5APPARGPPARD
SCHEMBL1544900 0.83 AHR (0.47) BCHEAHRPDE5APPARGPPARD
SCHEMBL5240875 0.82 HTR1B (0.58) BCHEHTR1BHTR1D
SCHEMBL18202245 0.81 BCHE (0.44) BCHEAHRPPARGPPARDPPARA
SCHEMBL23777450 0.78 AHR (0.42) BCHEAHRHTR1BHTR1DHTR1A
SCHEMBL594125 0.76 BCHE (0.56) BCHEMCHR1AHRKEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8741942-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-06-03 US disclosed
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2012-06-14 US disclosed
US-8143300-B2 Inhibitors of cellular necrosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-27 US disclosed
US-20110144169-A1 Inhibitors of cellular necrosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-06-16 US disclosed
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-7585981-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2009-09-08 US disclosed
EP-1327632-B1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF MITSUBISHI RAYON CO (JP) 2008-12-03 EP disclosed
US-7115751-B2 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYON CO., LTD. (JP) 2006-10-03 US disclosed
US-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI RAYONE CO., LTD. (JP) 2006-09-21 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof MITSUBISHI CHEMICAL CORPORATION (JP) 2004-01-29 US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 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 (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-20060211793-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT BCHE 4038/4885MCHR1 2168/4885AHR 60/4885
US-20040019097-A1 Method for producing trimer of indole derivative, and trimer of indole derivative and laminated structure thereof IDO1, IDO2, INMT BCHE 4139/4885MCHR1 2423/4885AHR 51/4885
US-20110144169-A1 Inhibitors of cellular necrosis TNF, AIFM1, BAD BCHE 858/4885MCHR1 4688/4885AHR 4812/4885
US-20120149702-A1 INHIBITORS OF CELLULAR NECROSIS TNF, AIFM1, BAD BCHE 858/4885MCHR1 4688/4885AHR 4812/4885

“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.