SCHEMBL8204414

SCHEMBL8204414

CCC(C)(C)CC(C)(C)CO

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL5681862 0.87 MEN1 (0.32) TSHR
SCHEMBL10444 0.83
SCHEMBL10794688 0.83 TSHR (0.46) TSHRTDP1
Hydrochloric Acid SCHEMBL7715252 0.80
SCHEMBL20076234 0.77 TSHR (0.30) TSHRTDP1
SCHEMBL10954286 0.77 TSHR (0.30) TSHRTDP1
SCHEMBL14564963 0.75 TSHR (0.33) TSHRTDP1
SCHEMBL13896428 0.75 MEN1 (0.32) TSHR
SCHEMBL5366938 0.75 TSHR (0.33) TSHRTDP1
SCHEMBL2625536 0.73 MEN1 (0.30) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101613427-B Method for preparing polyisobutylene with high reaction activity UNIV BEIJING CHEMICAL 2011-04-20 CN claimed
CN-101613427-A The preparation method of high-activity polyisobutylene UNIV BEIJING CHEMICAL 2009-12-30 CN claimed
US-20150105445-A1 RNA INTERFERENCE MEDIATED INHIBITION OF GENE EXPRESSION USING CHEMICALLY MODIFIED SHORT INTERFERING NUCLEIC ACID (siNA) SIRNA THERAPEUTICS, INC. (US) 2015-04-16 US disclosed
CN-101955558-B Initiating system for preparing high-reaction activity polyisobutene and copolymer of polyisobutene UNIV BEIJING CHEMICAL 2013-03-13 CN disclosed
CN-101613427-B Method for preparing polyisobutylene with high reaction activity UNIV BEIJING CHEMICAL 2011-04-20 CN disclosed
US-7906207-B2 Coating composition, optical film, anti-reflection film, polarizing plate, and display unit using them FUJIFILM CORPORATION (JP) 2011-03-15 US disclosed
CN-101955558-A Initiating system for preparing high-reaction activity polyisobutene and copolymer of polyisobutene UNIV BEIJING CHEMICAL 2011-01-26 CN disclosed
US-20100317048-A1 NOVEL SYNTHETIC BLOCKING REAGENTS FORSCHUNGSZENTRUM BORSTEL (DE) 2010-12-16 US disclosed
CN-101613427-A The preparation method of high-activity polyisobutylene UNIV BEIJING CHEMICAL 2009-12-30 CN disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy PIERRE FABRE MEDICAMENT (FR) 2008-07-10 US disclosed
WO-2008033744-A2 DNA METHYL TRANSFERASE INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
US-20070289497-A1 Coating Composition, Optical Film, Anti-reflection Film, Polarizing Plate, and Display Unit Using Them FUJIFILM CORPORATION (JP) 2007-12-20 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-20100317048-A1 NOVEL SYNTHETIC BLOCKING REAGENTS SPR, SSB, LY96 TSHR 1408/4885TDP1 3668/4885
US-20080167313-A1 1,2,4-Triazine Derivatives, Preparation and Use Thereof in Human Therapy CBR3, NOX3, RTN3 TSHR 133/4885TDP1 2250/4885

“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.