SCHEMBL10053672

SCHEMBL10053672

CC/C=C\CC1C(=O)CCC1CCOC(=O)CC1CCC(=O)C1C

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1C4 P17516 1/20 0.57
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
HTT P42858 1/20 0.35
PTGER4 P35408 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 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
SCHEMBL10022805 0.93 AKR1C4 (0.66) AKR1C4AKR1C3AKR1C2HTTPTGER4
SCHEMBL11988493 0.87 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTPTGER4
SCHEMBL11988496 0.87 AKR1C4 (0.58) AKR1C4AKR1C3AKR1C2HTT
SCHEMBL10022807 0.83 AKR1C4 (0.66) AKR1C4AKR1C3AKR1C2HTTPTGER4
SCHEMBL2702818 0.83 AKR1C4 (0.61) AKR1C4AKR1C3AKR1C2HTTPTGER4
SCHEMBL10053671 0.83 AKR1C4 (0.33) AKR1C4AKR1C3AKR1C2
SCHEMBL11751123 0.82 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTPTGER4
SCHEMBL21953399 0.82 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTPTGER4
SCHEMBL29785187 0.82 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTPTGER4
SCHEMBL11751129 0.82 AKR1C4 (0.71) AKR1C4AKR1C3AKR1C2HTTPTGER4

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-8247439-B2 Jasmonate derivatives, pharmaceutical compositions and methods of use thereof SEPAL PHARMA LTD. (IL) 2012-08-21 US disclosed
US-20120083529-A1 USE OF JASMONATE ESTER DERIVATIVES FOR TREATING BENIGN HYPERPROLIFERATIVE SKIN DISORDERS SEPAL PHARMA LTD (IL) 2012-04-05 US disclosed
US-20100003346-A1 COMBINATION METHODS OF TREATING CANCER RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2010-01-07 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 (3 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
US-20100003346-A1 COMBINATION METHODS OF TREATING CANCER G6PD, PGD, PDK2 AKR1C4 460/4885AKR1C3 560/4885AKR1C2 368/4885

“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.