SCHEMBL3103174

SCHEMBL3103174

O=C(CNC1C2CC3CC1CC(C(=O)O)(C3)C2)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.48
HSD11B2 P80365 5/20 0.48
EPHX2 P34913 3/20 0.44
HPGD P15428 1/20 0.42
DGAT1 O75907 3/20 0.42
CYP17A1 P05093 2/20 0.41
CYP19A1 P11511 2/20 0.41
RECQL P46063 1/20 0.41
FKBP1A P62942 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3112463 0.91 HSD11B1 (0.50) HSD11B1HSD11B2EPHX2
SCHEMBL3123120 0.90 CYP17A1 (0.44) HSD11B1HSD11B2EPHX2HPGDCYP17A1
SCHEMBL1846642 0.83 HSD11B1 (0.56) HSD11B1HSD11B2EPHX2HPGDALDH1A1
SCHEMBL1846641 0.83 HSD11B1 (0.56) HSD11B1HSD11B2EPHX2HPGDALDH1A1
SCHEMBL1845687 0.83 HSD11B1 (0.56) HSD11B1HSD11B2EPHX2HPGDALDH1A1
SCHEMBL2825063 0.83 HSD11B1 (0.56) HSD11B1HSD11B2EPHX2HPGDALDH1A1
SCHEMBL12578487 0.83 HSD11B1 (0.56) HSD11B1HSD11B2EPHX2HPGDALDH1A1
SCHEMBL2839601 0.80 HSD11B1 (0.52) HSD11B1HSD11B2EPHX2ALDH1A1
SCHEMBL1844036 0.74 HSD11B1 (0.57) HSD11B1HSD11B2EPHX2
SCHEMBL1844038 0.74 HSD11B1 (0.57) HSD11B1HSD11B2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222417-B2 Compound having 11β-HSD1 inhibitory activity TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-07-17 US disclosed
US-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
EP-2172453-A1 COMPOUND HAVING 11 ß-HSD1 INHIBITORY ACTIVITY Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-07 EP 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-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY HSD11B1, CYP4A11, HSD11B2 HSD11B1 1/4885HSD11B2 3/4885EPHX2 2538/4885

“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.