SCHEMBL5480757

SCHEMBL5480757

CSC1(CC(O)C(F)(F)F)CCOc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.32
KMT2A Q03164 2/20 0.32
LDHA P00338 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
NR3C1 P04150 1/20 0.30

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
SCHEMBL5175220 0.82 KMT2A (0.33) KIF11KMT2ASMN1; SMN2NR3C1
SCHEMBL5467643 0.80 NR3C1 (0.41) KIF11KMT2ASMN1; SMN2NR3C1
SCHEMBL5173756 0.75 KMT2A (0.35) KIF11KMT2ALDHASMN1; SMN2
SCHEMBL28768718 0.73 NR3C1 (0.35) KIF11KMT2ALDHASMN1; SMN2NR3C1
SCHEMBL5467686 0.73 NR3C1 (0.33) KMT2ANR3C1
SCHEMBL5173687 0.72 KMT2A (0.35) KIF11KMT2ALDHASMN1; SMN2
SCHEMBL3427001 0.71 AKR1B1 (0.32) KMT2A
SCHEMBL3428327 0.68 AKR1B1 (0.46) KIF11
SCHEMBL3177133 0.68 ITGB2 (0.41) KMT2ALDHASMN1; SMN2
SCHEMBL22426762 0.67 ITGB2 (0.40) KMT2ALDHASMN1; SMN2

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 2 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
US-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents SCHERING AG (DE) 2007-06-07 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-20070129358-A1 Sbstituted chroman derivatives, processes for their preparation and their use as antiinflammatory agents TNF, CXCL8, MPO KIF11 4771/4885KMT2A 4398/4885LDHA 1666/4885

“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.