SCHEMBL6768784

SCHEMBL6768784

CCOC(=O)[C@H]1[C@@H](c2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)N1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.37
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
HTT P42858 2/20 0.33
HSD17B2 P37059 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD2 P14416 1/20 0.33
TSHR P16473 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
MDM2 Q00987 1/20 0.32

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
SCHEMBL7177838 1.00 PREP (0.37) PREPALDH1A1SMN1; SMN2CA12CA1
SCHEMBL6771297 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HSD17B2CYP2C19TSHR
SCHEMBL6771299 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HSD17B2CYP2C19TSHR
SCHEMBL6767974 0.81 KDM4E (0.43) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL6767977 0.81 KDM4E (0.43) ALDH1A1SMN1; SMN2CA12CA1CA9
SCHEMBL6771317 0.79 CYP19A1 (0.41) SMN1; SMN2HTTHSD17B2CYP1A2CYP2D6
SCHEMBL6771313 0.79 CYP19A1 (0.41) SMN1; SMN2HTTHSD17B2CYP1A2CYP2D6
SCHEMBL6773142 0.79 SLC6A4 (0.41) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6773138 0.79 SLC6A4 (0.41) HTTCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6772031 0.79 CYP19A1 (0.41) SMN1; SMN2HTTHSD17B2CYP1A2CYP2D6

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
US-6784167-B2 TREATING OSTEOPOROSIS, OSTEOPENIA, OVARIAN CANCER, BREAST CANCER, ENDOMETRIAL CANCER, ENDOMETRIOSIS, PROSTATE CANCER, ACNE, ANDROGEN-DEPENDENT HAIR LOSS, NON-INSULIN-DEPENDENT DIABETES MELLITUS, OR HYPERCHOLESTEROLEMIA. BAYER PHARMACEUTICALS CORPORATION 2004-08-31 US disclosed
EP-1326829-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS Bayer Pharmaceuticals Corporation (US) 2003-07-16 EP disclosed
US-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors BAYER PHARMACEUTICALS CORPORATION 2003-05-08 US disclosed
WO-2002026706-A2 17-BETA-HYDROXYSTEROID DEHYDROGENASE-II INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2002-04-04 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 (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-20030087952-A1 17-Beta-hydroxysteroid dehydrogenase-II inhibitors HSD3B1, HSD3B2, HSD17B1 PREP 2695/4885ALDH1A1 86/4885SMN1; SMN2 3120/4885

“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.