SCHEMBL5896964

SCHEMBL5896964

COC(=O)C1CC2CCCCC2CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
HIF1A Q16665 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 3/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
NPC1 O15118 2/20 0.32
TSHR P16473 2/20 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
SCHEMBL28783473 0.97 CHRM2 (0.36) BRD4KDM4EHSD17B10CHRNB2CHRNB4
SCHEMBL29134747 0.86 BRD4 (0.36) BRD4KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL32681696 0.85 KDM4E (0.36) BRD4KDM4EHSD17B10SMN1; SMN2MAPK1
SCHEMBL5896943 0.76 SLC6A2 (0.36) BRD4KDM4EHSD17B10CHRNB2CHRNB4
SCHEMBL28783476 0.76 CHRM2 (0.33) KDM4ECHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL2784766 0.75 BRD4 (0.44) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5897600 0.75 SLC6A2 (0.38) KDM4EHSD17B10CHRNB2CHRNB4CHRNA3
SCHEMBL7715093 0.74 BRD4 (0.46) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL13036801 0.74 TLR4 (0.39) BRD4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL856267 0.74 TLR4 (0.39) BRD4CHRNB2CHRNB4CHRNA3CHRNA7

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-7038087-B2 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2006-05-02 US disclosed
US-20040063999-A1 Process for the production of optically active amino alcohols TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-04-01 US disclosed
EP-1398310-A1 Process for the production of optically active amino alcohols Takasago International Corporation (JP) 2004-03-17 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-20040063999-A1 Process for the production of optically active amino alcohols ADH1C, ADH1A, ADH5 BRD4 4003/4885KDM4E 1324/4885HSD17B10 97/4885

“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.