SCHEMBL9001655

SCHEMBL9001655

CCc1cc2[nH]ccc2cc1-c1ccc(Cl)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.44
▸ TLR7 Q9NYK1 1/20 0.44
▸ NR4A2 P43354 4/20 0.43
▸ AHR P35869 2/20 0.43
▸ CMA1 P23946 1/20 0.43
▸ F7 P08709 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ F3 P13726 1/20 0.43
▸ ADORA2B P29275 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ AMY1A P0DUB6 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36

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
SCHEMBL13285077 0.83 TLR8 (0.47) TLR8TLR7NR4A2AHRCMA1
SCHEMBL13168981 0.83 CTNNB1 (0.45) TLR8TLR7MEN1POLBKMT2A
SCHEMBL13168982 0.82 TLR8 (0.42) TLR8TLR7MEN1POLBKMT2A
SCHEMBL15372399 0.82 TLR8 (0.46) TLR8TLR7NR4A2AHRCMA1
SCHEMBL8957498 0.80 TLR8 (0.44) TLR8TLR7NR4A2AHRCMA1
SCHEMBL12824777 0.77 TLR8 (0.44) TLR8TLR7MEN1POLBKMT2A
SCHEMBL10289742 0.75 MAPT (0.45) LMNACTNNB1WNT3AHPGDL3MBTL1
SCHEMBL9004441 0.71 CSNK2A1 (0.50) NR4A2AHRCMA1F7LTA4H
SCHEMBL10289632 0.70 GPR84 (0.48) NR4A2AHRCMA1F7LTA4H
SCHEMBL13168979 0.70 PARP10 (0.39) CMA1F7F3ADORA2BHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140163011-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-12 — — US disclosed
US-8633189-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 — — US disclosed
US-20130196983-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-01 — — US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 — — US disclosed
US-8367660-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-05 — — US disclosed
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-17 — — US disclosed
US-20130011923-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 — — US disclosed
US-8188283-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-10-14 — — US disclosed
US-20100168094-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-01 — — US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 — — US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 — — 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 (7 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 TLR8 3660/4885TLR7 4661/4885NR4A2 790/4885
US-20130196983-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC2 TLR8 2954/4885TLR7 4065/4885NR4A2 1216/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 TLR8 3616/4885TLR7 4631/4885NR4A2 867/4885
US-20140163011-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 TLR8 3660/4885TLR7 4661/4885NR4A2 790/4885
US-20100168094-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC2 TLR8 2954/4885TLR7 4065/4885NR4A2 1216/4885
US-20130018070-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC1 TLR8 2846/4885TLR7 4270/4885NR4A2 1364/4885
US-20100261750-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, ABCB1, ABCC1 TLR8 2846/4885TLR7 4270/4885NR4A2 1364/4885

“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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