SCHEMBL4545338

SCHEMBL4545338

CCC(C)(C)C(C)N(C(C)C)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL13083122 0.76
SCHEMBL24969478 0.76
SCHEMBL20143562 0.76
SCHEMBL19492027 0.74 TSHR (0.32) TSHRTDP1
SCHEMBL4545340 0.71
SCHEMBL25788845 0.70 MEN1 (0.32)
SCHEMBL20968103 0.69
SCHEMBL24042487 0.69 FDPS (0.33)
SCHEMBL21925362 0.65 TSHR (0.40) TSHRTDP1
SCHEMBL135476 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389006-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
US-8197848-B2 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors BEND RESEARCH, INC. (US) 2012-06-12 US disclosed
US-8173142-B2 Pharmaceutical compositions of drugs and neutralized acidic polymers BEND RESEARCH, INC. (US) 2012-05-08 US disclosed
US-8147872-B2 Pharmaceutical compositions of drugs and neutralized acidic polymers Bend Reseach, Inc. (US) 2012-04-03 US disclosed
US-20090011024-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers PFIZER INC. 2009-01-08 US disclosed
US-20080292707-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug PFIZER INC 2008-11-27 US disclosed
US-20070282009-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors PFIZER INC 2007-12-06 US disclosed
US-20070148236-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug PFIZER PRODUCTS INC. 2007-06-28 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 (4 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-20070148236-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug ABCG2, ALB, SLCO1A2 TSHR 3984/4885TDP1 1607/4885
US-20090011024-A1 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers ABCG2, ABCB1, MATR3 TSHR 4702/4885TDP1 755/4885
US-20070282009-A1 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors CETP, HDLBP, NPC1L1 TSHR 4570/4885TDP1 1490/4885
US-20080292707-A1 Pharmaceutical Compositions of Adsorbates of Amorphous Drug ABCG2, ALB, SLCO1A2 TSHR 3984/4885TDP1 1607/4885

“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.