SCHEMBL12815293

SCHEMBL12815293

CC(Cl)[SiH](c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
TAAR1 Q96RJ0 6/20 0.36
SIGMAR1 Q99720 4/20 0.36
SLC6A2 P23975 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
SLC18A2 Q05940 1/20 0.33
CYP2D6 P10635 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 2/20 0.32
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 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
SCHEMBL27962485 0.78 TSHR (0.41) TSHR
SCHEMBL1325645 0.78 TDP1 (0.36) TSHRTAAR1SIGMAR1SLC6A2MAOA
SCHEMBL27895966 0.75 TSHR (0.31) TSHR
SCHEMBL15302680 0.74 TDP1 (0.33) TSHRTAAR1SIGMAR1SLC6A2MAOA
SCHEMBL25909657 0.74 TAAR1 (0.41) TSHRTAAR1CYP2D6LMNA
SCHEMBL25909658 0.74 TAAR1 (0.41) TSHRTAAR1CYP2D6LMNA
SCHEMBL15302723 0.74 TAAR1 (0.33) TSHRTAAR1SIGMAR1SLC6A2MAOA
SCHEMBL27981305 0.73 TSHR (0.33) TSHRTRPA1
SCHEMBL10319577 0.72 TSHR (0.48) TSHRTAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL18726525 0.72 THRB (0.38) TSHRTAAR1SIGMAR1SLC6A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791221-B2 Addition-curable metallosiloxane compound DAICEL CORPORATION (JP) 2014-07-29 US disclosed
EP-2691357-A1 METHOD FOR PRODUCING 1-HEXENE Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
US-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-01-09 US disclosed
EP-2650319-A1 ADDITION-CURABLE METALLOSILOXANE COMPOUND Daicel Corporation (JP) 2013-10-16 EP disclosed
US-20130267653-A1 ADDITION-CURABLE METALLOSILOXANE COMPOUND DAICEL CORPORATION (JP) 2013-10-10 US disclosed
WO-2012133928-A1 TRIMERIZATION CATALYST AND METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133937-A1 METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133929-A1 METHOD FOR PRODUCING THE TRANSITION METAL ION COMPLEX, CATALYST FOR TRIMERIZATION, AND METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133921-A1 CATALYST FOR OLEFIN OLIGOMERIZATION AND METHOD FOR PRODUCING α-OLEFIN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO 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-20140012056-A1 METHOD FOR PRODUCING 1-HEXENE AP2A1, AP1M1, ME1 TSHR 2851/4885TAAR1 794/4885SIGMAR1 4141/4885
US-20130267653-A1 ADDITION-CURABLE METALLOSILOXANE COMPOUND B2M, MSI2, MNS1 TSHR 4702/4885TAAR1 2705/4885SIGMAR1 3506/4885

“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.