SCHEMBL12059709

SCHEMBL12059709

CCC(C)(C)CC(C)(F)F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL26316505 0.80 TSHR (0.35) TSHRTDP1
SCHEMBL13104148 0.80 TSHR (0.35) TSHRTDP1
SCHEMBL10794688 0.78 TSHR (0.46) TSHRTDP1
SCHEMBL17793493 0.75 TSHR (0.32) TSHRTDP1
SCHEMBL18589318 0.75 TSHR (0.32) TSHRTDP1
SCHEMBL14204 0.73
SCHEMBL9168093 0.73
SCHEMBL19504328 0.73 TSHR (0.35) TSHRTDP1
SCHEMBL13173609 0.73 TSHR (0.35) TSHRTDP1
SCHEMBL14726747 0.73 TSHR (0.30) TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230269999-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-08-24 US disclosed
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-11-27 US disclosed
US-8772301-B2 Compounds for treating disorders mediated by metabotropic glutamate receptor 5, and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2014-07-08 US disclosed
US-20140178582-A1 COMPOSITE MEMBRANE FORMED FROM POLYMER BLEND INCLUDING SELF-ASSEMBLING BLOCK COPOLYMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-06-26 US disclosed
US-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-12-29 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 (3 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-20110319380-A1 Compounds for Treating Disorders Mediated by Metabotropic Glutamate Receptor 5, and Methods of Use Thereof GRM5, GRM2, GRM1 TSHR 1410/4885TDP1 1917/4885
US-20230269999-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ACAT1, ACMSD, SLC25A21 TSHR 4612/4885TDP1 2690/4885
US-20140349992-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 TSHR 1410/4885TDP1 1917/4885

“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.