SCHEMBL5897113

SCHEMBL5897113

COC(=O)C1CC2CC(OC)CCC2C1=O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC6A3 Q01959 2/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
EPHX2 P34913 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL24698707 0.83 CHRNB2 (0.37) CYP1A2HIF1ASLC6A3CHRNB2CHRNB4
SCHEMBL5896943 0.80 SLC6A2 (0.36) CYP1A2HIF1ASLC6A3CHRNB2CHRNB4
SCHEMBL5897600 0.79 SLC6A2 (0.38) CYP1A2HIF1ASLC6A3CHRNB2CHRNB4
SCHEMBL5897643 0.72 SLC6A3 (0.35) CYP1A2HIF1ASLC6A3CHRNB2CHRNB4
SCHEMBL3813730 0.70 SLC6A2 (0.36) CYP1A2HIF1ASLC6A3ALDH1A1
SCHEMBL10353154 0.69 CHRNB2 (0.47) CYP1A2SLC6A3CHRNB2CHRNB4CHRNA3
SCHEMBL13595119 0.69 CHRM2 (0.43) CYP1A2CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6559191 0.69 CYP1A2 (0.36) CYP1A2HIF1ACHRNB2CHRNB4CHRNA3
SCHEMBL13882832 0.68 CYP1A2 (0.46) CYP1A2HIF1ACHRNB2CHRNB4CHRNA3
SCHEMBL10612580 0.68 CHRNB2 (0.46) CYP1A2SLC6A3CHRNB2CHRNB4CHRNA3

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 2117/4885SLC6A3 1507/4885

“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.