SCHEMBL10106346

SCHEMBL10106346

COc1ccc(C2OCC(C)(C)CO2)cc1C(O)(c1cccc(Br)c1)c1cc(C2OCC(C)(C)CO2)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 3/20 0.33
ALOX5 P09917 1/20 0.33
PTPN1 P18031 1/20 0.33
NPY2R P49146 1/20 0.32
ACHE P22303 1/20 0.31
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP3A4 P08684 1/20 0.31
KDM4E B2RXH2 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
PPARA Q07869 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30

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
SCHEMBL10106322 0.88 RAB9A (0.39) NPC1RAB9ASMN1; SMN2MAPTPPARG
SCHEMBL10106336 0.87 SMN1; SMN2 (0.39) NPC1RAB9ASMN1; SMN2MAPTPPARG
SCHEMBL10106383 0.86 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2PPARGPPARD
SCHEMBL7074120 0.82 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTPPARG
SCHEMBL10106355 0.82 NPC1 (0.35) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL10330556 0.78 NR3C1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL10330568 0.77 NPC1 (0.33) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL10106440 0.77 NPC1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL10106337 0.77 EGFR (0.41) NPC1RAB9ASMN1; SMN2MAPTALOX12
SCHEMBL10106449 0.75 NPC1 (0.34) NPC1RAB9ASMN1; SMN2

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 6 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

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-20110305666-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, PML NPC1 215/4885RAB9A 2880/4885SMN1; SMN2 1044/4885

“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.