SCHEMBL16011978

SCHEMBL16011978

Cc1cc2c(cc1O)C(=O)CC(c1ccccc1C)O2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.57
CYP3A4 P08684 1/20 0.57
ADORA3 P0DMS8 1/20 0.56
HSD11B1 P28845 1/20 0.56
AKR1C3 P42330 1/20 0.56
AXL P30530 1/20 0.49
MAOB P27338 4/20 0.48
CYP19A1 P11511 2/20 0.48
MAOA P21397 1/20 0.48
PSMB5 P28074 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
CRHBP P24387 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
SCHEMBL8093300 0.80 ADORA3 (0.68) ARCYP3A4ADORA3HSD11B1AKR1C3
SCHEMBL8093292 0.80 ADORA3 (0.68) ARCYP3A4ADORA3HSD11B1AKR1C3
SCHEMBL14759262 0.79 AR (0.73) ARCYP3A4ADORA3HSD11B1AKR1C3
SCHEMBL12067046 0.75 MAOB (0.71) ARCYP3A4ADORA3MAOBCYP19A1
SCHEMBL5082108 0.73 AR (1.00) ARCYP3A4ADORA3HSD11B1AKR1C3
SCHEMBL5082116 0.73 AR (0.80) ARCYP3A4ADORA3HSD11B1AKR1C3
SCHEMBL14759121 0.73 SLC8A1 (0.46)
2'-Hydroxy-Flavanone SCHEMBL128288 0.72 AR (1.00) ARCYP3A4ADORA3HSD11B1AKR1C3
2'-Hydroxy-Flavanone SCHEMBL128289 0.72 AR (1.00) ARCYP3A4ADORA3HSD11B1AKR1C3
2'-Hydroxy-Flavanone SCHEMBL29661236 0.72 AR (1.00) ARCYP3A4ADORA3HSD11B1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008341-B Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals 赛诺菲 2017-10-24 CN disclosed
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 1023/4885ADORA3 317/4885
US-20170166548-A1 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals RYR2, RYR1, CACNA1E AR 902/4885CYP3A4 999/4885ADORA3 316/4885

“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.