SCHEMBL7068161

SCHEMBL7068161

CC1(C)COC(c2ccc(OCc3ccccc3)c(Br)c2)OC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTPN1 P18031 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TLR9 Q9NR96 1/20 0.41
BCHE P06276 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
PTGES O14684 1/20 0.40
ALOX5 P09917 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
SLC6A4 P31645 1/20 0.39
TP53 P04637 1/20 0.38
NPC1 O15118 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 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
SCHEMBL12702768 0.86 RAB9A (0.48) RAB9ASMN1; SMN2PTPN1KDM4EHPGD
SCHEMBL4623926 0.82 PDE4A (0.40) RAB9AKDM4ETP53NPC1PDE4A
SCHEMBL10144993 0.81 NPC1 (0.43) RAB9ASMN1; SMN2KDM4EBCHEPTGES
SCHEMBL18124437 0.79 OPRM1 (0.53) RAB9ASMN1; SMN2BCHEMEN1MAPT
SCHEMBL642956 0.79 SMN1; SMN2 (0.48) RAB9ASMN1; SMN2KDM4EHPGDMEN1
SCHEMBL28119107 0.76 BCHE (0.55) BCHEHTR2CMEN1MAPTKMT2A
SCHEMBL10106337 0.74 EGFR (0.41) RAB9ASMN1; SMN2MAPTNPC1PDE4A
SCHEMBL10106318 0.73 EGFR (0.32) RAB9ASMN1; SMN2NPC1PDE4APDE4B
SCHEMBL9778943 0.72 PDE4A (0.57) SMN1; SMN2KDM4EBCHEMEN1KMT2A
SCHEMBL9778687 0.72 APP (0.55) RAB9ASMN1; SMN2KDM4EHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-9321739-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2016-04-26 US disclosed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US disclosed
US-8119672-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-02-21 US disclosed
US-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES RYS DAVID J (US) 2011-12-15 US disclosed
US-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES RYS DAVID J (US) 2011-12-15 US disclosed
US-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases NITZ THEODORE J (US) 2003-05-15 US disclosed
US-6495580-B1 A BENZYLIDENE DERIVATIVE CONTAINING HETEROCYCLIC RING IS USEFUL AS PNEUMOVIRUS INHIBITOR VIROPHARMA INCORPORATED 2002-12-17 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 (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-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, PML RAB9A 2880/4885SMN1; SMN2 1044/4885PTPN1 3915/4885
US-20030092685-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, PML RAB9A 2880/4885SMN1; SMN2 1044/4885PTPN1 3915/4885

“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.