SCHEMBL3353849

SCHEMBL3353849

C[Si](C)(C)C#CC1=CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
GRM5 P41594 2/20 0.50
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
FFAR1 O14842 1/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ATM Q13315 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CTSK P43235 1/20 0.32

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
SCHEMBL18530722 0.94 CYP1A2 (0.49) CYP1A2GRM5DRD2DRD4DRD3
SCHEMBL17552572 0.77 GRM5 (0.53) CYP1A2GRM5FFAR1NPC1RAB9A
SCHEMBL4222484 0.76
SCHEMBL30858320 0.72 GRM5 (0.53) GRM5DRD2DRD4DRD3
SCHEMBL5774580 0.71
SCHEMBL11746719 0.71
SCHEMBL11744141 0.71
SCHEMBL4854449 0.71
SCHEMBL4098240 0.71 CYP1A2 (0.42) CYP1A2GRM5FFAR1NPC1RAB9A
Hydrochloric Acid SCHEMBL2290775 0.71 GRM5 (0.51) GRM5DRD2DRD4DRD3

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115775908-A High-nickel ternary lithium ion battery electrolyte and lithium ion battery containing same 东莞市杉杉电池材料有限公司 2023-03-10 CN claimed
CN-115775908-A High-nickel ternary lithium ion battery electrolyte and lithium ion battery containing same 东莞市杉杉电池材料有限公司 2023-03-10 CN disclosed
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2021-12-09 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER UNIV CALIFORNIA (US) 2017-11-30 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
US-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER LIPSHUTZ BRUCE H (US) 2016-11-24 US disclosed
EP-2768803-A1 2-METHYLENE-VITAMIN D ANALOGS AND THEIR USES Wisconsin Alumni Research Foundation (US) 2014-08-27 EP disclosed
US-20050044778-A1 Fuel compositions employing catalyst combustion structure OCTANE INTERNATIONAL, LTD. 2005-03-03 US disclosed
US-20040237384-A1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2004-12-02 US disclosed
US-6652608-B1 Fuel compositions exhibiting improved fuel stability OCTANE INTERNATIONAL, LTD. 2003-11-25 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed
EP-1051461-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR, William C. (US) 2000-11-15 EP disclosed
WO-1999066009-A2 FUEL COMPOSITIONS EMPLOYING CATALYST COMBUSTION STRUCTURE ORR WILLIAM C (US) 1999-12-23 WO disclosed
EP-0954558-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR, William C. (US) 1999-11-10 EP disclosed
WO-1998026028-A1 FUEL COMPOSITIONS EXHIBITING IMPROVED FUEL STABILITY ORR WILLIAM C (US) 1998-06-18 WO disclosed
EP-0751140-A2 Ene-yne unsaturated compounds as accelerators for hydrosilation DOW CORNING CORPORATION (US) 1997-01-02 EP disclosed
US-5493045-A SILICON HYDRIDE IS REACTED WITH AN UNSATURATED COMPOUND INPRESENCE OF PLATIMUM CATALYST DOW CORNING CORPORATION (US) 1996-02-20 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 (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-20160339418-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP1A2 4047/4885GRM5 3731/4885DRD2 1286/4885
US-20170341069-A1 NANO-TO-NANO FE/PPM Pd CATALYSIS OF CROSS-COUPLING REACTIONS IN WATER SOD1, MPO, TFRC CYP1A2 3967/4885GRM5 3899/4885DRD2 1583/4885
US-20210380574-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS CYP1A2 2535/4885GRM5 3673/4885DRD2 2536/4885

“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.