SCHEMBL10144993

SCHEMBL10144993

COCOc1ccc(C2OCC(C)(C)CO2)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CACNA1F O60840 2/20 0.32
CACNA1D Q01668 2/20 0.32
CACNA1S Q13698 2/20 0.32
CACNA1C Q13936 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ROR1 Q01973 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BCHE P06276 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
SCHEMBL1587345 0.86 ALDH1A1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL642956 0.85 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL19923130 0.83 NPC1 (0.42) NPC1RAB9ASMN1; SMN2ROR1
SCHEMBL7068161 0.81 RAB9A (0.43) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL10106364 0.81 NPC1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10330558 0.78 RAB9A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL641310 0.77 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2ALDH1A1TSHR
SCHEMBL767623 0.74 LARS1 (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL28599987 0.74 SMN1; SMN2 (0.35) NPC1RAB9ASMN1; SMN2
SCHEMBL10106418 0.73 NPC1 (0.36) NPC1RAB9ASMN1; SMN2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962667-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases Microdose Therapeutix, Inc. (US) 2015-02-24 US disclosed
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX INC (US) 2014-12-11 US disclosed
US-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 US disclosed
US-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 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-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 NPC1 223/4885RAB9A 2841/4885SMN1; SMN2 1129/4885

“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.