SCHEMBL12372465

SCHEMBL12372465

CC(C)CC(CCN)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
GABRR1 P24046 2/20 0.33
GABBR2 O75899 2/20 0.32
GABBR1 Q9UBS5 2/20 0.32
ANPEP P15144 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 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
SCHEMBL18523608 0.82 NFKB1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL20963211 0.82 GABRR1 (0.39) ALDH1A1GABRR1GABBR2GABBR1
SCHEMBL24493657 0.79
SCHEMBL19245830 0.78 ALDH1A1 (0.30) ALDH1A1TSHRMAPK1
SCHEMBL13010113 0.77 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1ANPEPERAP2
SCHEMBL23005111 0.75 ALDH1A1 (0.36) ALDH1A1TSHRMAPK1
SCHEMBL9989406 0.75 TSHR (0.41) ALDH1A1TSHRMAPK1ANPEPERAP2
SCHEMBL7391772 0.74 TSHR (0.33) ALDH1A1TSHRMAPK1
SCHEMBL21126665 0.74
SCHEMBL5933640 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989600-B2 Bioconjugation; drug screening GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. 2011-08-02 US disclosed
US-20080241959-A1 Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2008-10-02 US disclosed
US-20080096830-A1 Anti-Inflammatory Macrolide Conjugates GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2008-04-24 US disclosed
US-7157433-B2 Compounds, compositions as carriers for steroid/nonsteroid anti-inflammatory; antienoplastic and antiviral active molecules GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB (HR) 2007-01-02 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 (2 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-20080241959-A1 Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification BTD, HLCS, MRPL12 ALDH1A1 4489/4885TSHR 1578/4885MAPK1 3356/4885
US-20080096830-A1 Anti-Inflammatory Macrolide Conjugates NLRP3, IL1B, MPO ALDH1A1 602/4885TSHR 4179/4885MAPK1 2251/4885

“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.