SCHEMBL13766697

SCHEMBL13766697

CC(C)C1C2CC3CC1CC(CC(=O)O)(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 5/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.42
HSD11B1 P28845 3/20 0.41
HSD11B2 P80365 1/20 0.41
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
BPTF Q12830 1/20 0.37
P2RX7 Q99572 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL16684403 0.81 ALDH1A1 (0.46) SMN1; SMN2NPSR1ALDH1A1TSHRPOLB
SCHEMBL3112462 0.80 ALDH1A1 (0.49) SMN1; SMN2NPSR1ALDH1A1TSHRPOLB
Adamantaneacetic Acid SCHEMBL24688608 0.78 ALDH1A1 (0.62) SMN1; SMN2NPSR1ALDH1A1TSHRPOLB
Adamantaneacetic Acid SCHEMBL306081 0.78 ALDH1A1 (0.62) SMN1; SMN2NPSR1ALDH1A1TSHRPOLB
Adamantaneacetic Acid SCHEMBL6865701 0.78 ALDH1A1 (0.62) SMN1; SMN2NPSR1ALDH1A1TSHRPOLB
SCHEMBL9948726 0.77 POLB (0.50) SMN1; SMN2NPSR1ALDH1A1TSHRPOLB
SCHEMBL16940693 0.76 HSD11B1 (0.39) SMN1; SMN2NPSR1ALDH1A1TSHRHSD11B1
Adamantaneacetic Acid SCHEMBL4147939 0.76 ALDH1A1 (0.60) SMN1; SMN2NPSR1ALDH1A1TSHRPOLB
SCHEMBL13126733 0.75 ALDH1A1 (0.43) SMN1; SMN2NPSR1ALDH1A1TSHRMEN1
SCHEMBL17317458 0.74 HSD11B1 (0.45) SMN1; SMN2NPSR1ALDH1A1TSHRPOLB

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-8324265-B2 Heterocyclic compounds having type I 11β hydroxysteroid dehydrogenase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-12-04 US disclosed
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2009-07-02 US disclosed
US-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I SHIONOGI & CO., LTD. (JP) 2009-05-21 US 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-20090131491-A1 ISOXAZOLE DERIVATIVE AND ISOTHIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY ON 11(beta)-HYDROXYSTEROID DEHYDROGENASE TYPE I HSD3B1, NR5A1, HSD11B1 SMN1; SMN2 4090/4885NPSR1 1626/4885ALDH1A1 203/4885
US-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 SMN1; SMN2 3709/4885NPSR1 651/4885ALDH1A1 207/4885

“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.