SCHEMBL16012292

SCHEMBL16012292

Cc1c(F)cccc1C1CC(=O)c2cc(O)ccc2O1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.67
CYP3A4 P08684 2/20 0.67
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
ALOX15 P16050 1/20 0.58
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP19A1 P11511 4/20 0.50
ADORA3 P0DMS8 2/20 0.49
HSD11B1 P28845 1/20 0.49
AKR1C3 P42330 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PSMB5 P28074 1/20 0.48
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
AXL P30530 1/20 0.46

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
SCHEMBL4366630 0.89 AR (0.69) ARCYP3A4MAPTMAPK1KDM4E
SCHEMBL4358795 0.89 AR (0.76) ARCYP3A4MAPTMAPK1KDM4E
SCHEMBL16012391 0.86 KDM4E (0.62) ARCYP3A4MAPTMAPK1KDM4E
SCHEMBL4362358 0.85 AR (0.67) ARCYP3A4MAPTMAPK1KDM4E
SCHEMBL6613726 0.84 AR (0.59) ARCYP3A4MAPTMAPK1KDM4E
SCHEMBL4361748 0.82 AR (0.63) ARCYP3A4MAPTMAPK1KDM4E
SCHEMBL14759252 0.81 AR (0.62) ARCYP3A4MAPTMAPK1KDM4E
SCHEMBL5082108 0.81 AR (1.00) ARCYP3A4MAPTMAPK1CYP19A1
SCHEMBL4358326 0.80 AR (0.63) ARCYP3A4MAPTMAPK1KDM4E
SCHEMBL16012836 0.79 ESR2 (0.56) ARCYP3A4MAPTMAPK1KDM4E

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-20170166548-A1 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals SANOFI (FR) 2017-06-15 US disclosed
EP-2964623-B1 SUBSTITUTED CHROMAN-6-YLOXY-CYCLOALKANES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2016-11-02 EP disclosed
US-9440941-B2 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals SANOFI (FR) 2016-09-13 US disclosed
US-20160016928-A1 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals SANOFI (FR) 2016-01-21 US disclosed
EP-2964623-A1 SUBSTITUTED CHROMAN-6-YLOXY-CYCLOALKANES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-01-13 EP disclosed
WO-2014135674-A1 SUBSTITUTED CHROMAN-6-YLOXY-CYCLOALKANES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2014-09-12 WO 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-20160016928-A1 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals RYR2, RYR1, CACNA1E AR 912/4885CYP3A4 1023/4885MAPT 3715/4885
US-20170166548-A1 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals RYR2, RYR1, CACNA1E AR 902/4885CYP3A4 999/4885MAPT 3702/4885

“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.