SCHEMBL5477166

SCHEMBL5477166

CCOC(=O)CC1(C)CCOc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
KMT2A Q03164 2/20 0.37
KCNH2 Q12809 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL11886853 0.82 AKR1B1 (0.47) GAAALDH1A1KMT2A
SCHEMBL21625361 0.82 RXRA (0.39) GAAALDH1A1NPC1TP53GLA
SCHEMBL7143699 0.78 SMN1; SMN2 (0.42) GAAALDH1A1KMT2A
SCHEMBL12737809 0.78 ALDH1A1 (0.42) GAAALDH1A1GLAKCNH2
SCHEMBL5172725 0.77 AKR1B1 (0.38) GAAALDH1A1KMT2A
SCHEMBL25871760 0.77 SMN1; SMN2 (0.45) GAAALDH1A1GLAKMT2AKCNH2
SCHEMBL7144622 0.75 ITGB2 (0.39) GAALMNAKMT2A
SCHEMBL3424828 0.75 ITGB2 (0.39) GAALMNAKMT2A
SCHEMBL10284783 0.75 ALDH1A1 (0.40) GAAALDH1A1GLAKMT2AKCNH2
SCHEMBL17922547 0.74 SIGMAR1 (0.40) ALDH1A1SIGMAR1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101160305-A Substituted chroman derivatives, method for the production and the use thereof in the form of antiphlogistics SCHERING AG (DE) 2008-04-09 CN disclosed
CN-101087780-A Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs BAYER SCHERING PHARMA AG (DE) 2007-12-12 CN disclosed
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 US disclosed
US-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs SCHERING AG (DE) 2006-07-27 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 (2 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-20060167025-A1 Tricyclic amino alcohols, processes for synthesis of same and use of same as anti-inflammatory drugs ALDH7A1, NOTUM, GOT2 GAA 3567/4885ALDH1A1 62/4885LMNA 4456/4885
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO GAA 1319/4885ALDH1A1 1563/4885LMNA 2685/4885

“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.