SCHEMBL10106357

SCHEMBL10106357

CCC(CC)Cc1cccc(C(c2cc(C=O)ccc2OC)c2cc(C=O)ccc2OC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
TSHR P16473 1/20 0.41
FDPS P14324 1/20 0.40
AOX1 Q06278 1/20 0.39
TTR P02766 1/20 0.38
HPGD P15428 2/20 0.36
TRIM24 O15164 1/20 0.36
ALDH5A1 P51649 1/20 0.36
ABAT P80404 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL10106362 0.88 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRFDPSAOX1
SCHEMBL10106384 0.88 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRFDPSAOX1
SCHEMBL10106360 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRAOX1HPGD
SCHEMBL10106328 0.79 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRFDPSAOX1
SCHEMBL10106350 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRFDPSAOX1
SCHEMBL7074229 0.78 TTR (0.55) ALDH1A1SMN1; SMN2TSHRFDPSAOX1
SCHEMBL10106339 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRFDPSAOX1
SCHEMBL7069587 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2TSHRFDPSAOX1
SCHEMBL7068044 0.72 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRFDPSAOX1
SCHEMBL10106363 0.71 GABRA1 (0.40) ALDH1A1SMN1; SMN2TSHRAOX1TTR

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 ALDH1A1 3369/4885SMN1; SMN2 1044/4885TSHR 4829/4885

“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.