SCHEMBL3676451

SCHEMBL3676451

COC(CC1C(=O)CCC1CC(=O)O)OC

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKR1C4 P17516 1/20 0.54
▸ AKR1C3 P42330 1/20 0.54
▸ AKR1C2 P52895 1/20 0.54
▸ TSHR P16473 1/20 0.32
▸ SLC6A12 P48065 3/20 0.31
▸ SLC6A11 P48066 3/20 0.31
▸ SLC6A13 Q9NSD5 3/20 0.31
▸ 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
SCHEMBL3678426 1.00 AKR1C4 (0.54) AKR1C4AKR1C3AKR1C2TSHRSLC6A12
SCHEMBL5598360 0.79 AKR1C4 (0.57) AKR1C4AKR1C3AKR1C2TSHRSLC6A12
SCHEMBL3676689 0.76 AKR1C4 (0.32) AKR1C4AKR1C3AKR1C2HTT
SCHEMBL2476814 0.75 ACE (0.38) AKR1C4AKR1C3AKR1C2
SCHEMBL2478853 0.75 ACE (0.38) AKR1C4AKR1C3AKR1C2
SCHEMBL11863746 0.74 AKR1C4 (0.68) AKR1C4AKR1C3AKR1C2SLC6A12SLC6A11
SCHEMBL5597975 0.73 AKR1C4 (0.57) AKR1C4AKR1C3AKR1C2SLC6A12SLC6A11
SCHEMBL5080170 0.73 CHRM2 (0.35) —
SCHEMBL11755975 0.73 AKR1C4 (0.57) AKR1C4AKR1C3AKR1C2SLC6A12SLC6A11
SCHEMBL2476808 0.72 AKR1C4 (0.69) AKR1C4AKR1C3AKR1C2SLC6A12SLC6A11

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-7649107-B2 Process for the preparation of cyclopentanone derivatives FIRMENICH SA (CH) 2010-01-19 — — US disclosed
US-20080214859-A1 Process for the Preparation of Cyclopentanone Derivatives FIRMENICH SA (CH) 2008-09-04 — — 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-20080214859-A1 Process for the Preparation of Cyclopentanone Derivatives DHPS, CBR3, CBR1 AKR1C4 6/4885AKR1C3 11/4885AKR1C2 17/4885

“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.

Send feedback