SCHEMBL10106435

SCHEMBL10106435

COCOc1ccc(C2OCC(C)(C)CO2)cc1C(O)(c1cccc(OCCN(C)C)c1)c1cc(C2OCC(C)(C)CO2)ccc1OCOC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA4 P43681 2/20 0.36
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 1/20 0.31
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
MAOB P27338 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
NR3C1 P04150 1/20 0.31
POLB P06746 1/20 0.31
PDK2 Q15119 1/20 0.30
BCL2 P10415 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
SCHEMBL10145020 0.91 NPC1 (0.34) NPC1RAB9ASMN1; SMN2MMP2MMP3
SCHEMBL10330562 0.89 NR3C1 (0.33) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL10145047 0.86 FFAR1 (0.31) NPC1RAB9ASMN1; SMN2
SCHEMBL10330563 0.84 FFAR1 (0.30) NR3C1
SCHEMBL10106440 0.83 NPC1 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL10106372 0.82 NPC1 (0.34) NPC1RAB9ASMN1; SMN2
SCHEMBL10144969 0.82 NPC1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL10106449 0.81 NPC1 (0.34) NPC1RAB9ASMN1; SMN2
SCHEMBL10106418 0.81 NPC1 (0.36) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL10106377 0.81 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 CHRNB2 4254/4885CHRNA4 4189/4885KDM4E 4428/4885

“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.