SCHEMBL5897138

SCHEMBL5897138

COC(=O)C1C(=O)CCC2CCCCC21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
POLB P06746 1/20 0.34
HTT P42858 3/20 0.33
NPC1 O15118 2/20 0.33
TSHR P16473 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 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
SCHEMBL5897591 0.85 CYP1A2 (0.39) CYP1A2HIF1AKDM4EHSD17B10ALDH1A1
SCHEMBL1874741 0.81 CYP1A2 (0.39) CYP1A2HIF1AKDM4EHSD17B10ALDH1A1
SCHEMBL5897765 0.78 CYP1A2 (0.35) CYP1A2HIF1AALDH1A1
SCHEMBL31292737 0.74 CHRM2 (0.34) KDM4EHSD17B10SMN1; SMN2HTTTSHR
SCHEMBL3301366 0.73 CYP1A2 (0.46) CYP1A2HIF1AKDM4EHSD17B10ALDH1A1
SCHEMBL8020201 0.73 CYP1A2 (0.43) CYP1A2HIF1AKDM4EHSD17B10ALDH1A1
SCHEMBL9122696 0.73 ALDH1A1 (0.46) CYP1A2HIF1AKDM4EHSD17B10ALDH1A1
SCHEMBL8020205 0.73 CYP1A2 (0.43) CYP1A2HIF1AKDM4EHSD17B10ALDH1A1
SCHEMBL29807013 0.73 ALDH1A1 (0.46) CYP1A2HIF1AKDM4EHSD17B10ALDH1A1
SCHEMBL7718731 0.73 CYP1A2 (0.43) CYP1A2HIF1AKDM4EHSD17B10ALDH1A1

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 CYP1A2 296/4885HIF1A 2117/4885KDM4E 1324/4885

“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.