SCHEMBL13932953

SCHEMBL13932953

CCC(C)(N)CCN(Cc1ccc(CN(CCC(C)(C)N)C(=O)CCC(=O)O)cc1)C(=O)CCC(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ NCOR2 Q9Y618 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL13933352 0.92 HDAC3 (0.41) USP2TSHRPOLBTDP1ALDH1A1
SCHEMBL13493234 0.89 TSHR (0.45) USP2TSHRPOLBTDP1ALDH1A1
SCHEMBL14706004 0.82 HDAC3 (0.34) USP2TSHRPOLBALDH1A1OPRM1
SCHEMBL14097282 0.79 SLC6A4 (0.35) POLBOPRM1OPRD1HDAC3HDAC1
SCHEMBL14706185 0.78 HDAC6 (0.41) USP2POLBHDAC3HDAC1HDAC2
SCHEMBL13933350 0.77 HDAC3 (0.41) SMN1; SMN2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13521690 0.74 HDAC3 (0.46) USP2TSHRPOLBALDH1A1OPRM1
SCHEMBL13493226 0.72 HDAC1 (0.40) TSHRALDH1A1HDAC3HDAC1HDAC2
SCHEMBL31040371 0.71 POLB (0.41) USP2TSHRPOLBTDP1ALDH1A1
Hydrochloric Acid SCHEMBL26103338 0.70 POLB (0.40) USP2TSHRPOLBTDP1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 — — US 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-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 USP2 4410/4885TSHR 4803/4885POLB 890/4885

“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.

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