SCHEMBL10330558

SCHEMBL10330558

COCOc1ccc(C2OCC(C)(C)CO2)cc1C(=O)c1cc(C2OCC(C)(C)CO2)ccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TSHR P16473 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 2/20 0.33
SIRT1 Q96EB6 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
KDM1A O60341 2/20 0.33

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
SCHEMBL10106364 0.96 NPC1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10106379 0.91 NPC1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10144993 0.78 NPC1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL19923130 0.77 NPC1 (0.42) RAB9ANPC1SMN1; SMN2ROR1
SCHEMBL641310 0.72 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL642956 0.71 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1966119 0.70 NPC1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL14666113 0.69 NPC1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL767623 0.69 LARS1 (0.33) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL10106440 0.69 NPC1 (0.35) RAB9ANPC1SMN1; 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-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-8846735-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2014-09-30 US disclosed
US-20140072532-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES MICRODOSE THERAPEUTX, INC. (US) 2014-03-13 US disclosed
US-8575205-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2013-11-05 US disclosed
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES NITZ THEODORE J (US) 2012-07-19 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 (3 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-20140072532-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 RAB9A 2841/4885NPC1 223/4885SMN1; SMN2 1129/4885
US-20140363395-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 RAB9A 2841/4885NPC1 223/4885SMN1; SMN2 1129/4885
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 RAB9A 2841/4885NPC1 223/4885SMN1; 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.