SCHEMBL10106396

SCHEMBL10106396

CCN(c1cccc(C(c2cc(C=O)ccc2O)c2cc(C=O)ccc2O)c1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
PTGS2 P35354 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
IGLV6-57 P01721 1/20 0.34
ALDH1A3 P47895 2/20 0.33
ALDH5A1 P51649 2/20 0.33
ABAT P80404 2/20 0.33
TRIM24 O15164 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
ALDH3A1 P30838 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL10106420 0.83 ALDH1A1 (0.40) ALDH1A1RAB9AKDM4EPTGS2IGLV6-57
SCHEMBL10145065 0.81 ALDH1A1 (0.37) ALDH1A1RAB9AKDM4EPTGS2ALDH5A1
SCHEMBL10145098 0.79 ALDH1A1 (0.36) ALDH1A1RAB9AKDM4EPTGS2ALDH1A3
SCHEMBL10145179 0.79 ALDH1A1 (0.38) ALDH1A1RAB9AKDM4EPTGS2ALDH1A3
SCHEMBL10106319 0.79 ALDH1A1 (0.45) ALDH1A1RAB9AKDM4EPTGS2HDAC4
SCHEMBL10119391 0.78 ALDH1A1 (0.46) ALDH1A1RAB9AKDM4EHPGDMAPT
SCHEMBL10106385 0.78 ALDH1A1 (0.44) ALDH1A1RAB9AKDM4EPTGS2HDAC4
SCHEMBL2431819 0.78 ALDH1A1 (0.40) ALDH1A1RAB9AKDM4EPTGS2HDAC4
SCHEMBL10145169 0.77 ALDH1A1 (0.35) ALDH1A1RAB9AKDM4EPTGS2ALDH5A1
SCHEMBL10145064 0.77 ALDH1A1 (0.36) ALDH1A1ALDH5A1ABATTRIM24HPGD

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 3369/4885RAB9A 2880/4885KDM4E 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.