SCHEMBL10106379

SCHEMBL10106379

COc1ccc(C2OCC(C)(C)CO2)cc1C(=O)c1cc(C2OCC(C)(C)CO2)ccc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
SIRT1 Q96EB6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM1A O60341 2/20 0.38
POLB P06746 2/20 0.36
RXRA P19793 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL10330558 0.91 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL10106364 0.86 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL642956 0.78 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL1966119 0.77 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL14666113 0.77 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6234654 0.75 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL1463215 0.75 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL6450302 0.74 ACMSD (0.51) NPC1RAB9ASMN1; SMN2HTTMAPK1
SCHEMBL2316467 0.73 MAPK1 (0.57) NPC1RAB9ASMN1; SMN2MAPTMAPK1
SCHEMBL2160517 0.72 MAPK1 (0.43) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1

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.