SCHEMBL10106363

SCHEMBL10106363

CC(C)Cc1cccc(C(c2cc(C=O)ccc2O)c2cc(C=O)ccc2O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 3/20 0.38
PTGS2 P35354 2/20 0.38
HPGD P15428 3/20 0.36
ALDH5A1 P51649 2/20 0.36
ABAT P80404 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CYP3A4 P08684 3/20 0.34
MAPK1 P28482 3/20 0.34
HIF1A Q16665 3/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
NFKB1 P19838 2/20 0.34
TSHR P16473 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
SCHEMBL10106360 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ERAB9APTGS2HPGD
SCHEMBL10106385 0.87 ALDH1A1 (0.44) ALDH1A1KDM4ERAB9APTGS2HPGD
SCHEMBL10106314 0.85 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9APTGS2HPGD
SCHEMBL10144995 0.83 ACMSD (0.39) ALDH1A1KDM4ERAB9APTGS2HPGD
SCHEMBL10106362 0.82 ALDH1A1 (0.46) ALDH1A1RAB9AHPGDALDH5A1ABAT
SCHEMBL10106319 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ERAB9APTGS2HPGD
SCHEMBL10106380 0.81 ALDH1A1 (0.40) ALDH1A1KDM4ERAB9APTGS2HPGD
SCHEMBL10144971 0.81 KDM4E (0.37) ALDH1A1KDM4ERAB9APTGS2HPGD
SCHEMBL10106334 0.80 KDM4E (0.43) ALDH1A1KDM4ERAB9APTGS2HPGD
SCHEMBL10144989 0.79 CA12 (0.41) ALDH1A1KDM4EPTGS2HPGDTDP1

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 GABRA1 3031/4885GABRB2 3592/4885ALDH1A1 3369/4885

“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.