SCHEMBL8041769

SCHEMBL8041769

CC(C)(C)CN(CC(C)(C)C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL8403038 0.83 TSHR (0.33) TSHRTDP1
SCHEMBL18524977 0.81
SCHEMBL21789807 0.78 TSHR (0.30) TSHRTDP1
SCHEMBL8032313 0.78
SCHEMBL13230635 0.76 ALDH1A1 (0.30)
SCHEMBL8962263 0.76 CA12 (0.36) TSHRTDP1
SCHEMBL8045923 0.74
SCHEMBL10197374 0.73 TDP1 (0.35) TSHRTDP1
SCHEMBL21497290 0.73 DNM1 (0.39) TSHR
SCHEMBL25425343 0.72

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-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
US-7365209-B2 Nitrogen heterocycle biaryls for osteoporosis and other diseases PHARMACOPEIA, INC. (US) 2008-04-29 US disclosed
US-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion PHARMACOPEIA, INC. (US) 2005-10-06 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-20050222203-A1 [4(2-methylamino-3-methyl)benzimidazol]1-[(4-carboxyethylamido-2,5-dimethyloxy)phenyl]ester; vitronectin receptor antagonist; endometriosis, restenosis following angioplasty, rheumatoid arthritis, cancer, macular degeneration and obesity; disruption of osteoclast adhesion MSR1, EDNRA, GPR174 TSHR 850/4885TDP1 3850/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 TSHR 1973/4885TDP1 4223/4885

“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.