SCHEMBL10053664

SCHEMBL10053664

CCC(=O)CC1CCC(=O)C1C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
TLR4 O00206 3/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL22804147 0.81 AKR1C4 (0.53) AKR1C4AKR1C3AKR1C2TLR4TDP1
SCHEMBL14035897 0.81 AKR1C4 (0.53) AKR1C4AKR1C3AKR1C2TLR4TDP1
SCHEMBL19736432 0.76 BRD4 (0.39) AKR1C4AKR1C3AKR1C2TLR4
SCHEMBL14468370 0.76 BRD4 (0.39) AKR1C4AKR1C3AKR1C2TLR4
SCHEMBL13523241 0.76 AKR1C4 (0.36) AKR1C4AKR1C3AKR1C2TLR4
SCHEMBL12189850 0.76 AKR1C4 (0.37) AKR1C4AKR1C3AKR1C2TLR4
SCHEMBL10053671 0.75 AKR1C4 (0.33) AKR1C4AKR1C3AKR1C2
SCHEMBL14305274 0.74
SCHEMBL11841597 0.74 AKR1C4 (0.43) AKR1C4AKR1C3AKR1C2TLR4
SCHEMBL20251126 0.73 AKR1C4 (0.37) AKR1C4AKR1C3AKR1C2

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-20120083529-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS SEPAL PHARMA LTD (IL) 2012-04-05 US disclosed
US-20090197927-A1 JASMONATE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF SEPAL PHARMA LTD. 2009-08-06 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 (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-20090197927-A1 JASMONATE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF ALOX5, GGPS1, PPIP5K2 AKR1C4 1945/4885AKR1C3 1678/4885AKR1C2 1420/4885
US-20120083529-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS MYC, KRT18, DGKK AKR1C4 390/4885AKR1C3 401/4885AKR1C2 259/4885

“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.