SCHEMBL5883622

SCHEMBL5883622

CC1(C(=O)Cl)CC2CCC1C2

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.33
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
GAA P10253 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
SCHEMBL76705 0.83 HSD11B1 (0.36) HSD11B1
SCHEMBL12424266 0.83 HSD11B1 (0.33) HSD11B1ALDH1A1HTT
SCHEMBL11703078 0.82 HSD11B1 (0.36) HSD11B1
SCHEMBL11703068 0.80 HSD11B1 (0.32) HSD11B1
SCHEMBL4863538 0.80 HSD11B1 (0.32) HSD11B1
SCHEMBL4740020 0.79 ALDH1A1 (0.33) HSD11B1ALDH1A1HTT
SCHEMBL8676760 0.77 HSD11B1 (0.33) HSD11B1
SCHEMBL13952831 0.74 F10 (0.37) HSD11B1ALDH1A1
SCHEMBL14314241 0.74 MEN1 (0.35) ALDH1A1HTT
SCHEMBL3688895 0.74 HSD11B1 (0.35) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247303-A1 7H-dibenzo[b,g][1,5]dioxocin-5-one derivatives and use thereof BAYER HEALTHCARE AG (DE) 2006-11-02 US disclosed
US-7087605-B2 5-Ethyl-imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2006-08-08 US disclosed
EP-1560630-A2 7H-DIBENZO[B,G][1,5]DIOXOCIN-5-ONE DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2005-08-10 EP disclosed
EP-1397363-B1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2005-05-11 EP disclosed
US-20040254187-A1 5-ethyl-imidazotriazinones BAYER HEALTHCARE AG (DE) 2004-12-16 US disclosed
WO-2004039453-A2 7H-DIBENZO[B,G][1,5]DIOXOCIN-5-ONE DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2004-05-13 WO disclosed
EP-1397363-A1 5-ETHYL-IMIDAZOTRIAZINONES Bayer HealthCare AG (DE) 2004-03-17 EP disclosed
WO-2002098880-A1 5-ETHYL-IMIDAZOTRIAZINONES BAYER HEALTHCARE AG (DE) 2002-12-12 WO 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-20040254187-A1 5-ethyl-imidazotriazinones EPX, TPMT, IL5 HSD11B1 2266/4885ALDH1A1 1621/4885HTT 2109/4885
US-20060247303-A1 7H-dibenzo[b,g][1,5]dioxocin-5-one derivatives and use thereof CETP, APOB, MTTP HSD11B1 177/4885ALDH1A1 3522/4885HTT 2607/4885

“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.