SCHEMBL5896773

SCHEMBL5896773

COC(=O)C1CCC(c2ccccc2F)CC1=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
DRD4 P21917 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 3/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 2/20 0.37
HCRTR2 O43614 1/20 0.37
TRPV1 Q8NER1 5/20 0.36

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
SCHEMBL13920729 0.90 TP53 (0.43) HDAC4SMN1; SMN2TP53HCRTR2
SCHEMBL3241787 0.84 TP53 (0.44) HCAR2ALDH1A1ALOX15GAATP53
SCHEMBL24732163 0.82 MTNR1A (0.44) SMN1; SMN2
SCHEMBL3235237 0.80 KMT2A (0.47)
SCHEMBL13225531 0.79 HCAR2 (0.41) HCAR2ALDH1A1TP53HCRTR2
SCHEMBL13920760 0.78 HCRTR2 (0.37) HCRTR2
SCHEMBL23481545 0.76 ALDH1A1 (0.40) HDAC4SMN1; SMN2ALDH1A1ALOX15PKM
SCHEMBL23409359 0.76 PDE5A (0.34) TSHR
SCHEMBL29903199 0.76 PDE5A (0.34) TSHR
SCHEMBL3235203 0.75 KDM4E (0.44) SMN1; SMN2ALDH1A1DRD4GAA

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 HDAC4 1093/4885SMN1; SMN2 4113/4885HCAR2 114/4885

“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.