SCHEMBL5013071

SCHEMBL5013071

O=COC(=O)C1CC=CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.47
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1463170 0.83 MIF (0.46) MIFALDH1A1ALOX15MEN1MAPT
SCHEMBL11536892 0.79 MIF (0.47) MIFALDH1A1ALOX15MEN1MAPT
SCHEMBL27730899 0.78 MIF (0.46) MIFALDH1A1ALOX15MEN1MAPT
SCHEMBL472153 0.76 MIF (0.41) MIFALDH1A1ALOX15MEN1MAPT
SCHEMBL11982130 0.76 TDP1 (0.46) MIFALDH1A1ALOX15MEN1MAPT
SCHEMBL15747683 0.76 MIF (0.45) MIFALDH1A1ALOX15MEN1MAPT
SCHEMBL9613490 0.76 TDP1 (0.46) MIFALDH1A1ALOX15MEN1MAPT
SCHEMBL6966144 0.76 MIF (0.45) MIFALDH1A1ALOX15MEN1MAPT
SCHEMBL15354918 0.76 MIF (0.45) MIFALDH1A1ALOX15MEN1MAPT
SCHEMBL91215 0.76 TDP1 (0.46) MIFALDH1A1ALOX15MEN1MAPT

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-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins CERNOFINA, LLC 2009-05-14 US disclosed
EP-1967520-A2 Production of polyketides and other natural products Biotica Technology Limited (GB) 2008-09-10 EP disclosed
EP-1589031-B1 Production of polyketides and other natural products BIOTICA TECH LTD (GB) 2007-08-15 EP 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-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins SELP, SELE, SELPLG MIF 144/4885ALDH1A1 1723/4885ALOX15 2422/4885

“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.