SCHEMBL10106385

SCHEMBL10106385

CCc1cccc(C(c2cc(C=O)ccc2O)c2cc(C=O)ccc2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.44
PTGS2 P35354 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RAB9A P51151 1/20 0.40
ALDH5A1 P51649 2/20 0.38
ABAT P80404 2/20 0.38
HPGD P15428 2/20 0.38
TRIM24 O15164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
TRPA1 O75762 1/20 0.37
AOX1 Q06278 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 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
SCHEMBL10106314 0.90 ALDH1A1 (0.43) ALDH1A1PTGS2KDM4ERAB9AALDH5A1
SCHEMBL10106360 0.87 ALDH1A1 (0.41) ALDH1A1PTGS2KDM4ERAB9AALDH5A1
SCHEMBL10106363 0.87 GABRA1 (0.40) ALDH1A1PTGS2KDM4ERAB9AALDH5A1
SCHEMBL10144995 0.85 ACMSD (0.39) ALDH1A1PTGS2KDM4ERAB9AALDH5A1
SCHEMBL10106380 0.84 ALDH1A1 (0.40) ALDH1A1PTGS2KDM4ERAB9AALDH5A1
SCHEMBL10144971 0.83 KDM4E (0.37) ALDH1A1PTGS2KDM4ERAB9AALDH5A1
SCHEMBL10106319 0.82 ALDH1A1 (0.45) ALDH1A1PTGS2KDM4ERAB9AALDH5A1
SCHEMBL10106334 0.82 KDM4E (0.43) ALDH1A1PTGS2KDM4ERAB9AALDH5A1
SCHEMBL10106384 0.82 ALDH1A1 (0.48) ALDH1A1RAB9AALDH5A1ABATHPGD
SCHEMBL10144989 0.81 CA12 (0.41) ALDH1A1PTGS2KDM4EHPGDTDP1

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 3369/4885PTGS2 935/4885KDM4E 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.