SCHEMBL13766698

SCHEMBL13766698

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.34
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33
EPHX2 P34913 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SCN9A Q15858 1/20 0.31
P2RX7 Q99572 2/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL19808496 0.82 ALDH1A1 (0.53) ALDH1A1KMT2AHSD17B10TSHREPHX2
SCHEMBL1160886 0.81 ALDH1A1 (0.42) ALDH1A1KMT2AHSD17B10TSHRHSD11B1
SCHEMBL10131885 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AHSD17B10TSHRHSD11B1
Hydrochloric Acid SCHEMBL9948050 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AHSD17B10TSHRHSD11B1
SCHEMBL19808700 0.79 ALDH1A1 (0.40) ALDH1A1KMT2AHSD17B10TSHRHSD11B1
SCHEMBL9948713 0.75 HSD11B1 (0.42) ALDH1A1HSD17B10TSHRHSD11B1EPHX2
SCHEMBL1161114 0.74 ALDH1A1 (0.43) ALDH1A1KMT2AHSD17B10TSHREPHX2
SCHEMBL13126731 0.73 LMNA (0.34) ALDH1A1EPHX2HTT
SCHEMBL20724787 0.73 LMNA (0.34) ALDH1A1EPHX2HTT
SCHEMBL13766697 0.70 SMN1; SMN2 (0.46) ALDH1A1KMT2ATSHRHSD11B1SMN1; SMN2

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 2 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

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-20090170832-A1 HETEROCYCLIC COMPOUNDS HAVING TYPE I 11beta HYDROXYSTEROID DEHYDROGENASE INHIBITORY ACTIVITY HSD17B1, HSD11B1, HSD3B1 ALDH1A1 207/4885KMT2A 2803/4885HSD17B10 19/4885

“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.