SCHEMBL28616616

SCHEMBL28616616

CC/C=C\C[C@H]1C(=O)CC[C@H]1CC(=O)OCC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.71
AKR1C3 P42330 1/20 0.71
AKR1C2 P52895 1/20 0.71
HTT P42858 1/20 0.37
CYP2D6 P10635 1/20 0.36
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
PTGS2 P35354 1/20 0.35
PDE4D Q08499 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGER2 P43116 3/20 0.33
PTGER4 P35408 2/20 0.33
PTGER3 P43115 2/20 0.33
POLB P06746 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
SCHEMBL21953399 1.00 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTCYP2D6
SCHEMBL11751129 1.00 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTCYP2D6
SCHEMBL29785187 1.00 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTCYP2D6
SCHEMBL11751123 1.00 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTCYP2D6
SCHEMBL11988493 0.92 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTPTGER2
SCHEMBL12742419 0.90 AKR1C4 (0.67) AKR1C4AKR1C3AKR1C2HTTPTGER2
SCHEMBL10022807 0.88 AKR1C4 (0.66) AKR1C4AKR1C3AKR1C2HTTPTGER2
SCHEMBL10022805 0.88 AKR1C4 (0.66) AKR1C4AKR1C3AKR1C2HTTPTGER2
SCHEMBL13063220 0.88 AKR1C4 (0.66) AKR1C4AKR1C3AKR1C2HTTPTGER2
Methyl Jasmonate SCHEMBL23196389 0.88 AKR1C4 (0.72) AKR1C4AKR1C3AKR1C2HTTPTGER2

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-RE50250-E1 Process for the preparation of cis-alpha,beta substituted cyclopentanones FIRMENICH SA (CH) 2024-12-31 US disclosed
US-11339113-B2 Process for the preparation of cis-alpha,beta substituted cyclopentanones FIRMENICH SA (CH) 2022-05-24 US disclosed
CN-112638861-A Process for preparing cis-alpha, beta-substituted cyclopentanones 弗门尼舍有限公司 2021-04-09 CN 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-11339113-B2 Process for the preparation of cis-alpha,beta substituted cyclopentanones CYP4A11, CYP11B1, CYP51A1 AKR1C4 19/4885AKR1C3 16/4885AKR1C2 29/4885

“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.