SCHEMBL736634

SCHEMBL736634

CCOC(=O)CC1C=C(Br)C=CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 5/20 0.37
TRPA1 O75762 1/20 0.37
GAA P10253 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
HPGD P15428 2/20 0.35
BRD4 O60885 2/20 0.34
MEN1 O00255 2/20 0.33
PIN1 Q13526 1/20 0.33
PIN4 Q9Y237 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6924804 0.75 GSK3A (0.41) GSK3AGSK3BCYP1A2ALDH1A1TRPA1
SCHEMBL1136289 0.67 GSK3A (0.42) GSK3AGSK3BCYP1A2ALDH1A1TRPA1
SCHEMBL4102344 0.65 CYP11B1 (0.39) GSK3AGSK3BCYP1A2GAAHSD17B10
SCHEMBL16612459 0.65 TSHR (0.41) GSK3AGSK3BCYP1A2ALDH1A1GAA
SCHEMBL23960000 0.62 ALDH1A1 (0.36) CYP1A2ALDH1A1TRPA1GAAMGAM
SCHEMBL31598498 0.62 GSK3A (0.35) GSK3AGSK3BCYP1A2ALDH1A1TRPA1
SCHEMBL20495271 0.62 GSK3A (0.35) GSK3AGSK3BCYP1A2ALDH1A1TRPA1
SCHEMBL21648120 0.62 HSD17B10 (0.42) GSK3AGSK3BCYP1A2ALDH1A1TRPA1
SCHEMBL23922439 0.62 GSK3A (0.41) GSK3AGSK3BCYP1A2ALDH1A1TRPA1
SCHEMBL20246648 0.62 GSK3A (0.41) GSK3AGSK3BCYP1A2ALDH1A1TRPA1

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-8138178-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8138178-B2 Cyclic inhibitors of 11beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-20110021512-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-01-27 US disclosed
US-20110021512-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC. 2011-01-27 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-20110021512-A1 Cyclic Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD11B2, HSD3B1 GSK3A 518/4885GSK3B 414/4885CYP1A2 71/4885

“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.