SCHEMBL988673

SCHEMBL988673

Cc1ccc(C)c([SiH2]c2ccccc2)c1C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
ACHE P22303 2/20 0.33
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
TRPA1 O75762 1/20 0.30
ATM Q13315 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
SCHEMBL988389 0.82 KDM4E (0.34) TSHRACHELMNAALOX12
SCHEMBL28642308 0.78 PTPN1 (0.30)
Ethylene SCHEMBL29078356 0.74 TSHR (0.39) TSHRACHELMNAALOX12
SCHEMBL52125 0.74 TSHR (0.44) TSHRCYP2A6ACHELMNAALOX12
Chloromethane SCHEMBL28762557 0.72 TSHR (0.44) TSHRCYP1A2ACHELMNAALOX12
SCHEMBL989764 0.71 TRPA1 (0.38) TSHRCYP1A2CYP2A6ACHELMNA
Hydrochloric Acid SCHEMBL15122374 0.71 TSHR (0.41) TSHRCYP2A6ACHELMNAALOX12
SCHEMBL3133054 0.71 TSHR (0.41) TSHRACHELMNAALOX12
SCHEMBL2793385 0.71 TSHR (0.41) TSHRCYP2A6ACHELMNAALOX12
Water SCHEMBL6913191 0.71 TSHR (0.41) TSHRCYP2A6ACHELMNAALOX12

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
CN-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed
EP-2275427-B1 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO PERFUMERY CO LTD (JP) 2013-09-11 EP disclosed
US-8404879-B2 Ruthenium-diamine complex and methods for producing optically active compounds TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-03-26 US disclosed
EP-2258707-B1 Ruthenium silyl-arene complexes, and method for production thereof TAKASAGO PERFUMERY CO LTD (JP) 2013-03-06 EP disclosed
US-7880025-B2 complexing trimethyl(4-methyl-1,4-cyclohexadienyl)silane with ruthenium chloride to produce RuCl2 [trimethyl (4-methyl-1,4-cyclohexadienyl) silane] TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-02-01 US disclosed
EP-2275427-A1 Ruthenium-diamine complex and methods for producing optically active compounds Takasago International Corporation (JP) 2011-01-19 EP disclosed
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-01-13 US disclosed
EP-2258707-A1 Ruthenium silyl-arene complexes, and method for production thereof Takasago International Corporation (JP) 2010-12-08 EP disclosed
US-20100298588-A1 RUTHENIUM SILYL-ARENE COMPLEX , AND METHOD FOR PRODUCTION THEREOF TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-11-25 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-20100298588-A1 RUTHENIUM SILYL-ARENE COMPLEX , AND METHOD FOR PRODUCTION THEREOF SPR, LSS, SRI TSHR 4573/4885CYP1A2 165/4885CYP2A6 296/4885
US-20110009646-A1 RUTHENIUM-DIAMINE COMPLEX AND METHODS FOR PRODUCING OPTICALLY ACTIVE COMPOUNDS ADH5, AOC1, ADH1A TSHR 2921/4885CYP1A2 204/4885CYP2A6 502/4885

“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.