SCHEMBL5897600

SCHEMBL5897600

COC(=O)C1CC2CCCCCC2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 3/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
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
CHRM2 P08172 1/20 0.32
CHRM4 P08173 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
SCHEMBL5896943 0.98 SLC6A2 (0.36) SLC6A2SLC6A4SMN1; SMN2CYP1A2HIF1A
SCHEMBL3813730 0.85 SLC6A2 (0.36) SLC6A2SLC6A4SMN1; SMN2CYP1A2HIF1A
SCHEMBL24698707 0.80 CHRNB2 (0.37) CYP1A2HIF1AALDH1A1SLC6A3KMT2A
SCHEMBL5897113 0.79 CYP1A2 (0.34) CYP1A2HIF1AALDH1A1SLC6A3CHRNB2
SCHEMBL5897643 0.76 SLC6A3 (0.35) SLC6A4CYP1A2HIF1AALDH1A1SLC6A3
SCHEMBL5896964 0.75 BRD4 (0.34) SMN1; SMN2CYP1A2HIF1AKDM4EHSD17B10
SCHEMBL28783473 0.71 CHRM2 (0.36) SMN1; SMN2CYP1A2HIF1AKDM4EHSD17B10
SCHEMBL9252723 0.71 KMT2A (0.38) SLC6A2SLC6A4KDM4EHSD17B10SLC6A3
SCHEMBL3974812 0.70 CYP1A2 (0.43) SMN1; SMN2CYP1A2HIF1AALDH1A1CHRM2
SCHEMBL32681696 0.70 KDM4E (0.36) SLC6A2SLC6A4SMN1; SMN2CYP1A2HIF1A

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 SLC6A2 1886/4885SLC6A4 627/4885SMN1; SMN2 4113/4885

“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.