SCHEMBL3112462

SCHEMBL3112462

O=C(O)CC12CC3CC(C1)C(O)C(C3)C2

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD11B1 P28845 3/20 0.42
HSD11B2 P80365 1/20 0.42
BPTF Q12830 1/20 0.42
P2RX7 Q99572 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Adamantaneacetic Acid SCHEMBL6865701 0.85 ALDH1A1 (0.62) ALDH1A1POLBCYP3A4CYP2C19HSD11B1
Adamantaneacetic Acid SCHEMBL24688608 0.85 ALDH1A1 (0.62) ALDH1A1POLBCYP3A4CYP2C19HSD11B1
Adamantaneacetic Acid SCHEMBL306081 0.85 ALDH1A1 (0.62) ALDH1A1POLBCYP3A4CYP2C19HSD11B1
SCHEMBL9948726 0.85 POLB (0.50) ALDH1A1POLBCYP3A4CYP2C19HSD11B1
SCHEMBL16684403 0.85 ALDH1A1 (0.46) ALDH1A1POLBCYP3A4CYP2C19HSD11B1
SCHEMBL5354981 0.84 ALDH1A1 (0.39) ALDH1A1POLBCYP3A4CYP2C19HSD11B1
Adamantaneacetic Acid SCHEMBL4147939 0.83 ALDH1A1 (0.60) ALDH1A1POLBCYP3A4CYP2C19HSD11B1
SCHEMBL13766697 0.80 SMN1; SMN2 (0.46) ALDH1A1POLBCYP3A4CYP2C19HSD11B1
SCHEMBL17628790 0.80
SCHEMBL10820607 0.78 POLB (0.44) ALDH1A1POLBCYP3A4CYP2C19HSD11B1

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 ALDH1A1 289/4885POLB 3958/4885CYP3A4 37/4885

“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.