SCHEMBL5896869

SCHEMBL5896869

COC(=O)C1CC(C)C(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36
BRD4 O60885 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
ATM Q13315 1/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL11069510 0.74 CYP1A2 (0.35) ALDH1A1CYP1A2HIF1ABRD4CHRNB2
SCHEMBL24698707 0.72 CHRNB2 (0.37) ALDH1A1CYP1A2HIF1ABRD4CHRNB2
SCHEMBL13882832 0.72 CYP1A2 (0.46) ALDH1A1CYP1A2HIF1ABRD4CHRNB2
SCHEMBL3201971 0.72 BRD4 (0.39) ALDH1A1CYP1A2HIF1ABRD4CHRNB2
SCHEMBL1499523 0.71 CYP1A2 (0.42) ALDH1A1CYP1A2HIF1ABRD4KMT2A
SCHEMBL11065308 0.71 BRD4 (0.34) ALDH1A1CYP1A2HIF1ABRD4CHRNB2
SCHEMBL11756557 0.70 BRD4 (0.38) ALDH1A1CYP1A2HIF1ABRD4CHRNB2
SCHEMBL5346726 0.69 CYP1A2 (0.41) ALDH1A1CYP1A2HIF1ABRD4CHRNB2
SCHEMBL11069436 0.69 CYP1A2 (0.35) ALDH1A1CYP1A2HIF1ABRD4
SCHEMBL11055929 0.69 BRD4 (0.33) ALDH1A1CYP1A2HIF1ABRD4CHRNB2

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 ALDH1A1 22/4885CYP1A2 296/4885HIF1A 2117/4885

“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.